Simple, yet powerful methodologies for conformational sampling of proteins
Author:
Affiliation:
1. Center for Computational Sciences
2. University of Tsukuba
3. Tsukuba
4. Japan
5. JST
6. CREST
7. Kawaguchi
8. Institute Protein Research
9. Department of Materials Engineering Science
10. Osaka University
11. Toyonaka
Abstract
This feature article reviews four different conformational sampling methods for proteins recently developed by us. We here deal with protein folding of small proteins, large amplitude domain motion of T4 lysozyme, and induced-fit motion of a loop region after substrate binding using our methods.
Funder
Japan Society for the Promotion of Science
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05262E
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