

Found an issue? Give us feedback
Please 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 0 works in your ORCID record related to the merged Research product.
You have already added 0 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 0 works in your ORCID record related to the merged Research product.
You have already added 0 works in your ORCID record related to the merged Research product.
All Research products
<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=undefined&type=result"></script>');
-->
</script>
For further information contact us at helpdesk@openaire.eu
Research data supporting "Energy Landscapes and Persistent Minima"
Authors: Carr, Joanne M.; Mazauric, Dorian; Cazals, Frédéric; Wales, David J.; Somani, Sandeep; de Souza, Vanessa K.; Shang, Cheng; +6 Authors
Carr, Joanne M.; Mazauric, Dorian; Cazals, Frédéric; Wales, David J.; Somani, Sandeep; de Souza, Vanessa K.; Shang, Cheng; Whittleston, Chris S.; Sutherland-Cash, Kyle H.; Oakley, Mark T.; Johnston, Roy L.; Collepardo-Guevara, Rosana; Chakraborty, Debayan;
doi: 10.17863/cam.68954
Abstract
Kinetic transition networks (databases of connected stationary points on the potential energy surface) for dialanine and tetraalanine peptides, the 38-atom Lennard-Jones cluster, a 60-atom binary Lennard-Jones mixture, a 69-bead model protein, binding modes for influenza virus, and a UUCG RNA tetraloop. These networks, obtained in previous work, are analysed here using topological persistence, to obtain subsets of local minima and hence a reduced description of the underlying energy landscape.
This work was supported by the ERC [grant number 267369].
Country
United Kingdom
Related Organizations
- University of Cambridge United Kingdom
Keywords
energy landscape, kinetic transition network, persistence, potential energy surface
energy landscape, kinetic transition network, persistence, potential energy surface
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).0 popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.Average influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).Average impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.Average visibility views 5 download downloads 6 - 5views6downloads
Data source Views Downloads Apollo 5 6

Found an issue? Give us feedback
citations
Citations provided by BIP!
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
popularity
Popularity provided by BIP!
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
influence
Influence provided by BIP!
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
impulse
Impulse provided by BIP!
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
views
Views provided by UsageCounts

downloads
Downloads provided by UsageCounts

0
Average
Average
Average
5
6
Beta
Related to Research communities
Energy Research