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Research data keyboard_double_arrow_right Dataset 2022Publisher:Zenodo Funded by:UKRI | Hydrogen Infrastructure U...UKRI| Hydrogen Infrastructure Uncertainty Management for Heat DecarbonisationAuthors: Vassilis M. Charitopoulos; Mathilde Fajardy; Chi Kong Chyong; David M. Reiner;Input data set for OPHELIA optimisation model investigating optimal heat decarbonization pathways through electrification for net zero economy in Great Britain.
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You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.6022815&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.6022815&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2022 United KingdomPublisher:University College London Pullinger, Martin; Few, Jessica; McKenna, Eoghan; Elam, Simon; Webborn, Ellen; Oreszczyn, Tadj;This is a set of aggregated data tables that underly the key figures in the SERL stats report "Smart Energy Research Lab: Energy use in GB domestic buildings 2021" (Volume 1). The report describes domestic gas and electricity energy use in Great Britain in 2021 based on data from the Smart Energy Research Lab (SERL) Observatory, which consists of smart meter and contextual data from approximately 13,000 homes that are broadly representative of the GB population in terms of region and Index of Multiple Deprivation (IMD) quintile. The report shows how residential energy use in GB varies over time (monthly over the year and half-hourly over the course of the day), with occupant characteristics (number of occupants, tenure), property characteristics (age, size, form, and Energy Performance Certificate (EPC)), by type of heating system, presence of solar panels and of electric vehicles, and by weather, region and IMD quintile.
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5522/04/20039816.v1&type=result"></script>'); --> </script>
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more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5522/04/20039816.v1&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2022Embargo end date: 11 Nov 2022Publisher:Harvard Dataverse Authors: Finnegan, Jared J;doi: 10.7910/dvn/vsm3yz
Replication data and materials for "Changing Prices in a Changing Climate: Electoral Competition and Fossil Fuel Taxation".
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You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.7910/dvn/vsm3yz&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
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For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2018Publisher:Zenodo Authors: Sridharan, Vignesh; Broad, Oliver; Shivakumar, Abhishek; Howells, Mark;This repository consists of the following datasets 1. EAPP_reference scenario_datafile.DD- This dataset is a model file that needs to be used with the code available in this GitHub link. This data file (in concurrence with the OSeMOSYS code) can be used to create a linear programming file (LP file) to be solved using any mathematical optimisation solver like GLPSOL/C-PLEX/GUROBI/CBC. 2. Main article_EAPP_data for figures.xlsx- This excel file contains the base data used to illustrate the figures in the main article. 3. Supplementary article_EAPP_data for figures.xlsx- This excel file contains the base data used to illustrate the figures in the supplementary article.
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.1478149&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.1478149&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2020 United KingdomPublisher:Zenodo Authors: Kavanagh, Seán R.;handle: 10044/1/88777
Batteries are the most abundant form of electrochemical energy storage. Lithium and sodium ion batteries account for a significant portion of the battery market, but high-performance electrochemically active materials still need to be discovered and optimized for these technologies. Recently, tin(II) oxide (SnO) has emerged as a highly-promising battery electrode. In this work, we present a facile synthesis method to produce SnO nanoparticles whose size and shape can be tailored by changing the solvent nature. We study the complex relationship between wet chemistry synthesis conditions and resulting nanoparticle morphology. Furthermore, high-level electronic structure theory, including dispersion corrections to account for van der Waals forces, are employed to augment our understanding of the underlying chemical mechanisms. The electronic vacuum alignment and surface energies are determined, allowing the prediction of the thermodynamically-favoured crystal shape (Wulff construction) and surface-weighted work function. Finally, the synthesized nanomaterials were tested as Li-ion battery anodes, demonstrating significantly enhanced electrochemical performance for morphologies obtained from specific synthesis conditions. Open-access publication in npj 2D Mater & Appl here.
ZENODO arrow_drop_down Imperial College London: SpiralDataset . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.4030515&type=result"></script>'); --> </script>
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visibility 110visibility views 110 download downloads 126 Powered bymore_vert ZENODO arrow_drop_down Imperial College London: SpiralDataset . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.4030515&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2021 United KingdomPublisher:MDPI AG Funded by:UKRI | EPSRC Centre for Doctoral...UKRI| EPSRC Centre for Doctoral Training in Energy Demand (LoLo)Authors: Salman Siddiqui; Mark Barrett; John Macadam;doi: 10.3390/en14144078
The decarbonisation of heating in the United Kingdom is likely to entail both the mass adoption of heat pumps and widespread development of district heating infrastructure. Estimation of the spatially disaggregated heat demand is needed for both electrical distribution network with electrified heating and for the development of district heating. The temporal variation of heat demand is important when considering the operation of district heating, thermal energy storage and electrical grid storage. The difference between the national and urban heat demands profiles will vary due to the type and occupancy of buildings leading to temporal variations which have not been widely surveyed. This paper develops a high-resolution spatiotemporal heat load model for Great Britain (GB: England, Scotland a Wales) by identifying the appropriate datasets, archetype segmentation and characterisation for the domestic and nondomestic building stock. This is applied to a thermal model and calibrated on the local scale using gas consumption statistics. The annual GB heat demand was in close agreement with other estimates and the peak demand was 219 GWth. The urban heat demand was found to have a lower peak to trough ratio than the average national demand profile. This will have important implications for the uptake of heating technologies and design of district heating.
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.3390/en14144078&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen gold 3 citations 3 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.3390/en14144078&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2023Embargo end date: 23 Feb 2023Publisher:Dryad Authors: Constanti Crosby, Laurel; Sayol, Ferran; Horswill, Catharine;Dataset 1: Brain and body size Published measures of brain size (g) for 131 species of seabird. Brain size estimates were generated from the measurement of adult skulls in museum collections using the endocast method. For each species, multiple specimens were measured and a mean value was calculated to provide a single, species-specific brain size estimate. To account for the allometric relationship between brain and body size, we also obtained information on body size (g). Dataset 2: Natal and adult dispersal rates We collated data on natal and adult dispersal rates by conducting a systematic literature search using the online database, Web of Science. The literature search generated a total of 793 papers and reports and from these, we extracted natal and adult dispersal rates. Here, natal dispersal is defined as the annual proportion of fledglings recruiting into a colony different from their natal colony, and adult dispersal is defined as the annual proportion of adults relocating to a new breeding colony. The final dataset included dispersal estimates from 47 studies and 29 species. For studies that provided multiple dispersal rate estimates, i.e., for different adult age classes or for males and females (n=9), we calculated a species mean value. For this final list, we also collated information on age at first breeding and fledging time. We selected age at first breeding to reflect the species-specific time that is available to prospect different colonies, and fledging time to reflect maternal investment. Where multiple species-specific values were provided for age at first breeding, we calculated the mean weighted by the percentage of individuals that had bred by each age. Where a range was provided for fledging time, we took the midpoint. Dataset 3: Extinction risk and threats We extracted a species’ threat status from the IUCN Red List database (iucnredlist.org, 2020) and their vulnerability to six relevant anthropogenic threats listed under the Threats Classification Scheme (v. 3.3, IUCN, 2020). The six anthropogenic threats we considered were: climate change, biological resource use (e.g., fishing), human intrusions and disturbance, invasive species, energy production and mining, and pollution. Threat vulnerability was classified as: ‘vulnerable’ or ‘not vulnerable’. We used the IUCN classifications to group species into two broader categories of extinction risk. Here, species classified as Critically Endangered (CR), Endangered (E) and Vulnerable (V) were defined as ‘threatened’, and species listed as Near Threatened (NT) and Least Concern (LC) were defined as ‘non-threatened’. The cognitive buffer hypothesis proposes that species with larger brains (relative to their body size) exhibit greater behavioural flexibility, conferring an advantage in unpredictable or novel environments. Therefore, behavioural flexibility – and relative brain size – are likely to be important predictors of a species’ vulnerability to anthropogenic pressures and, ultimately, extinction risk. However, current evidence linking brain size to species vulnerability and extinction risk is inconclusive. Furthermore, studies examining the relationship between relative brain size and behavioural flexibility have mainly focused on foraging innovations, whilst other forms of behavioural flexibility remain unexplored. In this study, we collate species-specific information and examine links between relative brain size, rates of natal and adult dispersal (a measure of flexibility in breeding site fidelity), vulnerability to six anthropogenic threats and extinction risk for 131 species of seabird. We focused our study on seabirds, a highly threatened group that displays large variation in both relative brain size and dispersal behaviour. We found a significant positive relationship between relative brain size and natal dispersal rate, suggesting that relative brain size could enhance flexibility in breeding site choice in seabirds, consistent with the cognitive buffer hypothesis. However, this relationship does not persist when we consider adult dispersal, possibly reflecting constraints imposed by mate selection and knowledge transfer in seabirds. We also show that relative brain size is negatively associated with vulnerability to climate change. These findings have immediate application for predicting interspecific variation in species’ vulnerability to climate change and identifying priority species for conservation.
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5061/dryad.cfxpnvx9g&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
visibility 7visibility views 7 download downloads 71 Powered bymore_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5061/dryad.cfxpnvx9g&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2020 United KingdomPublisher:Elsevier BV V.S. Bethapudi; J. Hack; P. Trogadas; G. Hinds; P.R. Shearing; D.J.L. Brett; M.-O. Coppens;Abstract Techniques for evaluating water management are critical to diagnose the performance of polymer electrolyte membrane fuel cells (PEMFCs). Acoustic emission as a function of polarisation (AEfP) has been recently introduced as a non-invasive, non-destructive method to analyse the water generation and removal inside a PEMFC during polarisation. AEfP was shown to provide unique insight into water management within a conventional PEMFC and correlating it to cell performance. Here, AEfP is used to characterise the performance of fractal PEMFCs by evaluating the hydration conditions inside them. This is achieved by probing the water dynamics inside two different fractal flow-field based PEMFCs, namely 1-way and 2-way fractal PEMFCs, and measuring the corresponding acoustic activity generated from them. AEfP is performed on the fractal PEMFCs under relatively humid (70% RH) and fully humidified (100% RH) reactant relative humidity (RH) conditions. Flooding in the 2-way fractal PEMFC, as opposed to the 1-way fractal PEMFC, is demonstrated under different operating conditions by the relatively higher acoustic activity it generates. Corroborating evidence of flooding in the 2-way fractal flow-field under different conditions is provided by its polarisation curves, impedance tests and galvanostatic (current hold) measurements.
Energy Conversion an... arrow_drop_down Energy Conversion and ManagementArticle . 2020 . Peer-reviewedLicense: Elsevier TDMData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.enconman.2020.113083&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 23 citations 23 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Energy Conversion an... arrow_drop_down Energy Conversion and ManagementArticle . 2020 . Peer-reviewedLicense: Elsevier TDMData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.enconman.2020.113083&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article 2020 United KingdomCrovetto, A; Xing, Z; Fischer, M; Nielsen, R; Savory, CN; Rindzevicius, T; Stenger, N; Scanlon, DO; Chorkendorff, I; Vesborg, PCK;Cu2BaSnS4 (CBTS) and Cu2SrSnS4 (CSTS) semiconductors have been recently proposed as potential wide band gap photovoltaic absorbers. Although several measurements indicate that they are less affected by band tailing than their parent compound Cu2ZnSnS4, their photovoltaic efficiencies are still low. To identify possible issues, we characterize CBTS and CSTS in parallel by a variety of spectroscopic methods complemented by first-principles calculations. Two main problems are identified in both materials. The first is the existence of deep defect transitions in low-temperature photoluminescence, pointing to a high density of bulk recombination centers. The second is their low electron affinity, which emphasizes the need for an alternative heterojunction partner and electron contact. We also find a tendency for downward band bending at the surface of both materials. In CBTS, this effect is sufficiently large to cause carrier-type inversion, which may enhance carrier separation and mitigate interface recombination. Optical absorption at room temperature is exciton-enhanced in both CBTS and CSTS. Deconvolution of excitonic effects yields band gaps that are about 100 meV higher than previous estimates based on Tauc plots. Although the two investigated materials are remarkably similar in an idealized, defect-free picture, the present work points to CBTS as a more promising absorber than CSTS for tandem photovoltaics.
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=base_search_::448d9da7e7d40b7c0c532f2b5d77bf8f&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=base_search_::448d9da7e7d40b7c0c532f2b5d77bf8f&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article 2023 United KingdomPublisher:American Chemical Society (ACS) Funded by:SNSF | Understanding and Modelli..., SNSF | ABCD Antibodies: Recombin...SNSF| Understanding and Modelling Cryptic Binding Pockets for Biology and Drug Discovery ,SNSF| ABCD Antibodies: Recombinant antibodies for researchAuthors: Jacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; +1 AuthorsJacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; Timothy Clark;pmid: 37824365
We use enhanced-sampling simulations with an effective collective variable to study the activation of the β2-adrenergic receptor in the presence of ligands with different efficacy. The free-energy profiles are computed for the ligand-free (apo) receptor and binary (apo-receptor + G-protein α-subunit and receptor + ligand) and ternary complexes. The results are not only compatible with available experiments but also allow unprecedented structural insight into the nature of GPCR conformations along the activation pathway and their role in the activation mechanism. In particular, the simulations reveal an unexpected mode of action of partial agonists such as salmeterol and salbutamol that arises already in the binary complex without the G-protein. Specific differences in the polar interactions with residues in TM5, which are required to stabilize an optimal TM6 conformation that facilitates G-protein binding and receptor activation, play a major role in differentiating them from full agonists.
Journal of Chemical ... arrow_drop_down Journal of Chemical Information and ModelingArticle . 2023 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jcim.3c00805&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen 2 citations 2 popularity Top 10% influence Average impulse Average Powered by BIP!
more_vert Journal of Chemical ... arrow_drop_down Journal of Chemical Information and ModelingArticle . 2023 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jcim.3c00805&type=result"></script>'); --> </script>
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Research data keyboard_double_arrow_right Dataset 2022Publisher:Zenodo Funded by:UKRI | Hydrogen Infrastructure U...UKRI| Hydrogen Infrastructure Uncertainty Management for Heat DecarbonisationAuthors: Vassilis M. Charitopoulos; Mathilde Fajardy; Chi Kong Chyong; David M. Reiner;Input data set for OPHELIA optimisation model investigating optimal heat decarbonization pathways through electrification for net zero economy in Great Britain.
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.6022815&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.6022815&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2022 United KingdomPublisher:University College London Pullinger, Martin; Few, Jessica; McKenna, Eoghan; Elam, Simon; Webborn, Ellen; Oreszczyn, Tadj;This is a set of aggregated data tables that underly the key figures in the SERL stats report "Smart Energy Research Lab: Energy use in GB domestic buildings 2021" (Volume 1). The report describes domestic gas and electricity energy use in Great Britain in 2021 based on data from the Smart Energy Research Lab (SERL) Observatory, which consists of smart meter and contextual data from approximately 13,000 homes that are broadly representative of the GB population in terms of region and Index of Multiple Deprivation (IMD) quintile. The report shows how residential energy use in GB varies over time (monthly over the year and half-hourly over the course of the day), with occupant characteristics (number of occupants, tenure), property characteristics (age, size, form, and Energy Performance Certificate (EPC)), by type of heating system, presence of solar panels and of electric vehicles, and by weather, region and IMD quintile.
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5522/04/20039816.v1&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5522/04/20039816.v1&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2022Embargo end date: 11 Nov 2022Publisher:Harvard Dataverse Authors: Finnegan, Jared J;doi: 10.7910/dvn/vsm3yz
Replication data and materials for "Changing Prices in a Changing Climate: Electoral Competition and Fossil Fuel Taxation".
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You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.7910/dvn/vsm3yz&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
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For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2018Publisher:Zenodo Authors: Sridharan, Vignesh; Broad, Oliver; Shivakumar, Abhishek; Howells, Mark;This repository consists of the following datasets 1. EAPP_reference scenario_datafile.DD- This dataset is a model file that needs to be used with the code available in this GitHub link. This data file (in concurrence with the OSeMOSYS code) can be used to create a linear programming file (LP file) to be solved using any mathematical optimisation solver like GLPSOL/C-PLEX/GUROBI/CBC. 2. Main article_EAPP_data for figures.xlsx- This excel file contains the base data used to illustrate the figures in the main article. 3. Supplementary article_EAPP_data for figures.xlsx- This excel file contains the base data used to illustrate the figures in the supplementary article.
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.1478149&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.1478149&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2020 United KingdomPublisher:Zenodo Authors: Kavanagh, Seán R.;handle: 10044/1/88777
Batteries are the most abundant form of electrochemical energy storage. Lithium and sodium ion batteries account for a significant portion of the battery market, but high-performance electrochemically active materials still need to be discovered and optimized for these technologies. Recently, tin(II) oxide (SnO) has emerged as a highly-promising battery electrode. In this work, we present a facile synthesis method to produce SnO nanoparticles whose size and shape can be tailored by changing the solvent nature. We study the complex relationship between wet chemistry synthesis conditions and resulting nanoparticle morphology. Furthermore, high-level electronic structure theory, including dispersion corrections to account for van der Waals forces, are employed to augment our understanding of the underlying chemical mechanisms. The electronic vacuum alignment and surface energies are determined, allowing the prediction of the thermodynamically-favoured crystal shape (Wulff construction) and surface-weighted work function. Finally, the synthesized nanomaterials were tested as Li-ion battery anodes, demonstrating significantly enhanced electrochemical performance for morphologies obtained from specific synthesis conditions. Open-access publication in npj 2D Mater & Appl here.
ZENODO arrow_drop_down Imperial College London: SpiralDataset . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.4030515&type=result"></script>'); --> </script>
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visibility 110visibility views 110 download downloads 126 Powered bymore_vert ZENODO arrow_drop_down Imperial College London: SpiralDataset . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5281/zenodo.4030515&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2021 United KingdomPublisher:MDPI AG Funded by:UKRI | EPSRC Centre for Doctoral...UKRI| EPSRC Centre for Doctoral Training in Energy Demand (LoLo)Authors: Salman Siddiqui; Mark Barrett; John Macadam;doi: 10.3390/en14144078
The decarbonisation of heating in the United Kingdom is likely to entail both the mass adoption of heat pumps and widespread development of district heating infrastructure. Estimation of the spatially disaggregated heat demand is needed for both electrical distribution network with electrified heating and for the development of district heating. The temporal variation of heat demand is important when considering the operation of district heating, thermal energy storage and electrical grid storage. The difference between the national and urban heat demands profiles will vary due to the type and occupancy of buildings leading to temporal variations which have not been widely surveyed. This paper develops a high-resolution spatiotemporal heat load model for Great Britain (GB: England, Scotland a Wales) by identifying the appropriate datasets, archetype segmentation and characterisation for the domestic and nondomestic building stock. This is applied to a thermal model and calibrated on the local scale using gas consumption statistics. The annual GB heat demand was in close agreement with other estimates and the peak demand was 219 GWth. The urban heat demand was found to have a lower peak to trough ratio than the average national demand profile. This will have important implications for the uptake of heating technologies and design of district heating.
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
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For further information contact us at helpdesk@openaire.euAccess RoutesGreen gold 3 citations 3 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.3390/en14144078&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2023Embargo end date: 23 Feb 2023Publisher:Dryad Authors: Constanti Crosby, Laurel; Sayol, Ferran; Horswill, Catharine;Dataset 1: Brain and body size Published measures of brain size (g) for 131 species of seabird. Brain size estimates were generated from the measurement of adult skulls in museum collections using the endocast method. For each species, multiple specimens were measured and a mean value was calculated to provide a single, species-specific brain size estimate. To account for the allometric relationship between brain and body size, we also obtained information on body size (g). Dataset 2: Natal and adult dispersal rates We collated data on natal and adult dispersal rates by conducting a systematic literature search using the online database, Web of Science. The literature search generated a total of 793 papers and reports and from these, we extracted natal and adult dispersal rates. Here, natal dispersal is defined as the annual proportion of fledglings recruiting into a colony different from their natal colony, and adult dispersal is defined as the annual proportion of adults relocating to a new breeding colony. The final dataset included dispersal estimates from 47 studies and 29 species. For studies that provided multiple dispersal rate estimates, i.e., for different adult age classes or for males and females (n=9), we calculated a species mean value. For this final list, we also collated information on age at first breeding and fledging time. We selected age at first breeding to reflect the species-specific time that is available to prospect different colonies, and fledging time to reflect maternal investment. Where multiple species-specific values were provided for age at first breeding, we calculated the mean weighted by the percentage of individuals that had bred by each age. Where a range was provided for fledging time, we took the midpoint. Dataset 3: Extinction risk and threats We extracted a species’ threat status from the IUCN Red List database (iucnredlist.org, 2020) and their vulnerability to six relevant anthropogenic threats listed under the Threats Classification Scheme (v. 3.3, IUCN, 2020). The six anthropogenic threats we considered were: climate change, biological resource use (e.g., fishing), human intrusions and disturbance, invasive species, energy production and mining, and pollution. Threat vulnerability was classified as: ‘vulnerable’ or ‘not vulnerable’. We used the IUCN classifications to group species into two broader categories of extinction risk. Here, species classified as Critically Endangered (CR), Endangered (E) and Vulnerable (V) were defined as ‘threatened’, and species listed as Near Threatened (NT) and Least Concern (LC) were defined as ‘non-threatened’. The cognitive buffer hypothesis proposes that species with larger brains (relative to their body size) exhibit greater behavioural flexibility, conferring an advantage in unpredictable or novel environments. Therefore, behavioural flexibility – and relative brain size – are likely to be important predictors of a species’ vulnerability to anthropogenic pressures and, ultimately, extinction risk. However, current evidence linking brain size to species vulnerability and extinction risk is inconclusive. Furthermore, studies examining the relationship between relative brain size and behavioural flexibility have mainly focused on foraging innovations, whilst other forms of behavioural flexibility remain unexplored. In this study, we collate species-specific information and examine links between relative brain size, rates of natal and adult dispersal (a measure of flexibility in breeding site fidelity), vulnerability to six anthropogenic threats and extinction risk for 131 species of seabird. We focused our study on seabirds, a highly threatened group that displays large variation in both relative brain size and dispersal behaviour. We found a significant positive relationship between relative brain size and natal dispersal rate, suggesting that relative brain size could enhance flexibility in breeding site choice in seabirds, consistent with the cognitive buffer hypothesis. However, this relationship does not persist when we consider adult dispersal, possibly reflecting constraints imposed by mate selection and knowledge transfer in seabirds. We also show that relative brain size is negatively associated with vulnerability to climate change. These findings have immediate application for predicting interspecific variation in species’ vulnerability to climate change and identifying priority species for conservation.
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You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
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For further information contact us at helpdesk@openaire.eu1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
visibility 7visibility views 7 download downloads 71 Powered bymore_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.5061/dryad.cfxpnvx9g&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2020 United KingdomPublisher:Elsevier BV V.S. Bethapudi; J. Hack; P. Trogadas; G. Hinds; P.R. Shearing; D.J.L. Brett; M.-O. Coppens;Abstract Techniques for evaluating water management are critical to diagnose the performance of polymer electrolyte membrane fuel cells (PEMFCs). Acoustic emission as a function of polarisation (AEfP) has been recently introduced as a non-invasive, non-destructive method to analyse the water generation and removal inside a PEMFC during polarisation. AEfP was shown to provide unique insight into water management within a conventional PEMFC and correlating it to cell performance. Here, AEfP is used to characterise the performance of fractal PEMFCs by evaluating the hydration conditions inside them. This is achieved by probing the water dynamics inside two different fractal flow-field based PEMFCs, namely 1-way and 2-way fractal PEMFCs, and measuring the corresponding acoustic activity generated from them. AEfP is performed on the fractal PEMFCs under relatively humid (70% RH) and fully humidified (100% RH) reactant relative humidity (RH) conditions. Flooding in the 2-way fractal PEMFC, as opposed to the 1-way fractal PEMFC, is demonstrated under different operating conditions by the relatively higher acoustic activity it generates. Corroborating evidence of flooding in the 2-way fractal flow-field under different conditions is provided by its polarisation curves, impedance tests and galvanostatic (current hold) measurements.
Energy Conversion an... arrow_drop_down Energy Conversion and ManagementArticle . 2020 . Peer-reviewedLicense: Elsevier TDMData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
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For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 23 citations 23 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Energy Conversion an... arrow_drop_down Energy Conversion and ManagementArticle . 2020 . Peer-reviewedLicense: Elsevier TDMData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.enconman.2020.113083&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article 2020 United KingdomCrovetto, A; Xing, Z; Fischer, M; Nielsen, R; Savory, CN; Rindzevicius, T; Stenger, N; Scanlon, DO; Chorkendorff, I; Vesborg, PCK;Cu2BaSnS4 (CBTS) and Cu2SrSnS4 (CSTS) semiconductors have been recently proposed as potential wide band gap photovoltaic absorbers. Although several measurements indicate that they are less affected by band tailing than their parent compound Cu2ZnSnS4, their photovoltaic efficiencies are still low. To identify possible issues, we characterize CBTS and CSTS in parallel by a variety of spectroscopic methods complemented by first-principles calculations. Two main problems are identified in both materials. The first is the existence of deep defect transitions in low-temperature photoluminescence, pointing to a high density of bulk recombination centers. The second is their low electron affinity, which emphasizes the need for an alternative heterojunction partner and electron contact. We also find a tendency for downward band bending at the surface of both materials. In CBTS, this effect is sufficiently large to cause carrier-type inversion, which may enhance carrier separation and mitigate interface recombination. Optical absorption at room temperature is exciton-enhanced in both CBTS and CSTS. Deconvolution of excitonic effects yields band gaps that are about 100 meV higher than previous estimates based on Tauc plots. Although the two investigated materials are remarkably similar in an idealized, defect-free picture, the present work points to CBTS as a more promising absorber than CSTS for tandem photovoltaics.
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=base_search_::448d9da7e7d40b7c0c532f2b5d77bf8f&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=base_search_::448d9da7e7d40b7c0c532f2b5d77bf8f&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article 2023 United KingdomPublisher:American Chemical Society (ACS) Funded by:SNSF | Understanding and Modelli..., SNSF | ABCD Antibodies: Recombin...SNSF| Understanding and Modelling Cryptic Binding Pockets for Biology and Drug Discovery ,SNSF| ABCD Antibodies: Recombinant antibodies for researchAuthors: Jacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; +1 AuthorsJacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; Timothy Clark;pmid: 37824365
We use enhanced-sampling simulations with an effective collective variable to study the activation of the β2-adrenergic receptor in the presence of ligands with different efficacy. The free-energy profiles are computed for the ligand-free (apo) receptor and binary (apo-receptor + G-protein α-subunit and receptor + ligand) and ternary complexes. The results are not only compatible with available experiments but also allow unprecedented structural insight into the nature of GPCR conformations along the activation pathway and their role in the activation mechanism. In particular, the simulations reveal an unexpected mode of action of partial agonists such as salmeterol and salbutamol that arises already in the binary complex without the G-protein. Specific differences in the polar interactions with residues in TM5, which are required to stabilize an optimal TM6 conformation that facilitates G-protein binding and receptor activation, play a major role in differentiating them from full agonists.
Journal of Chemical ... arrow_drop_down Journal of Chemical Information and ModelingArticle . 2023 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jcim.3c00805&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen 2 citations 2 popularity Top 10% influence Average impulse Average Powered by BIP!
more_vert Journal of Chemical ... arrow_drop_down Journal of Chemical Information and ModelingArticle . 2023 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jcim.3c00805&type=result"></script>'); --> </script>
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