Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
Author:
Affiliation:
1. EaStCHEM School of Chemistry
2. University of Edinburgh
3. Edinburgh
4. UK
5. Department of Chemistry, Physical and Theoretical Chemistry Laboratory
6. University of Oxford
7. Oxford
8. School of Biological Sciences
Abstract
Molecular simulations were used to design large scale loop motions in the enzyme cyclophilin A and NMR and biophysical methods were employed to validate the models.
Funder
Diamond Light Source
European Commission
Engineering and Physical Sciences Research Council
Wellcome Trust
FP7 Ideas: European Research Council
Royal Society
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/SC/C9SC04696H
Reference91 articles.
1. Trapping Moving Targets with Small Molecules
2. The dynamic conformational landscape of the protein methyltransferase SETD8
3. Enzyme Inhibition by Allosteric Capture of an Inactive Conformation
4. Studying “Invisible” Excited Protein States in Slow Exchange with a Major State Conformation
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