Protein−Ligand Binding Free Energy Calculation by the Smooth Reaction Path Generation (SRPG) Method-Reference-Cited by-同舟云学术

Protein−Ligand Binding Free Energy Calculation by the Smooth Reaction Path Generation (SRPG) Method

Published:2009-07-29 Issue:8 Volume:49 Page:1944-1951
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Fukunishi Yoshifumi¹,Mitomo Daisuke¹,Nakamura Haruki¹

Affiliation:

1. Biomedicinal Information Research Center (BIRC), National Institute of Advanced Industrial Science and Technology (AIST), 2-41-6, Aomi, Koto-ku, Tokyo 135-0064, Japan, Pharmaceutical Innovation Value Chain, BioGrid Center Kansai, 1-4-2 Shinsenri-Higashimachi, Toyonaka, Osaka 560-0082, Japan, Japan Biological Informatics Consortium (JBIC), 2-41-6, Aomi, Koto-ku, Tokyo 135-0064, Japan, and Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan

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/ci9002156

Reference45 articles.

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4. Flexible docking using tabu search and an empirical estimate of binding affinity

5. Automated docking of substrates to proteins by simulated annealing

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