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Chemical Science
Article . 2018 . Peer-reviewed
License: CC BY NC
Data sources: Crossref
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Chemical Science
Article
License: CC BY NC
Data sources: UnpayWall
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IRIS Cnr
Article . 2018
Data sources: IRIS Cnr
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CNR ExploRA
Article . 2018
Data sources: CNR ExploRA
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A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy

Authors: orcid R. Brian Dyer;
R. Brian Dyer
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Harvested from ORCID Public Data File

R. Brian Dyer in OpenAIRE
orcid Isabella Daidone;
Isabella Daidone
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Isabella Daidone in OpenAIRE
orcid bw Martin Gruebele;
Martin Gruebele
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Martin Gruebele in OpenAIRE
orcid Laura Zanetti-Polzi;
Laura Zanetti-Polzi
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Laura Zanetti-Polzi in OpenAIRE
orcid Andrea Amadei;
Andrea Amadei
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Andrea Amadei in OpenAIRE
orcid Caitlin M. Davis;
Caitlin M. Davis
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Caitlin M. Davis in OpenAIRE
Caitlin M. Davis;

A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy

Abstract

We break the barrier between simulation and experiment by comparing identical computed and experimental infrared observables.

Country
Italy
Keywords

WW Domain, Protein Folding, Molecular dynamics simulations, Chemistry (all), 612, Energy Landscape, Time-dependent infrared spectra, Chemistry, beta-hairpin, Settore CHIM/02 - CHIMICA FISICA

67 references, page 1 of 7
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citations
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