Deciphering Cryptic Binding Sites on Proteins by Mixed-Solvent Molecular Dynamics-Reference-Cited by-同舟云学术

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Deciphering Cryptic Binding Sites on Proteins by Mixed-Solvent Molecular Dynamics

Published:2017-06-08 Issue:6 Volume:57 Page:1388-1401
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kimura S. Roy¹,Hu Hai Peng²,Ruvinsky Anatoly M.³,Sherman Woody³,Favia Angelo D.²^ORCID

Affiliation:

1. Schrödinger KK, 17th Fl, Marunouchi Trust Tower North, 1-8-1 Marunouchi, Chiyoda-ku, Tokyo, Japan

2. Lilly China Research and Development Center (LCRDC), Eli Lilly and Company, Building 8, 338 Jia Li Lue Road, Shanghai 201203, PR China

3. Schrödinger LLC, 222 Third Street, Suite 2230, Cambridge, Massachusetts 02142, United States

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.6b00623

Reference75 articles.

1. Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites

2. Molecular dynamics simulations and drug discovery

3. A Novel Lipid Binding Site Formed by the MAP Kinase Insert in p38α

4. Selectivity by Small-Molecule Inhibitors of Protein Interactions Can Be Driven by Protein Surface Fluctuations

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