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Evaluation of protein‐ligand binding free energy focused on its entropic components [J. Comp. Chem. 33, 550–560]
Author(s) -
Chiba Shuntaro,
Harano Yuichi,
Roth Roland,
Kinoshita Masahiro,
Sakurai Minoru
Publication year - 2012
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23084
Subject(s) - chemistry , ligand (biochemistry) , computational chemistry , energy (signal processing) , statistical physics , computer science , physics , quantum mechanics , biochemistry , receptor
[a] S.Chiba,M.Sakurai Center for Biological Resources and Informatics, Tokyo Institute of Technology,Yokohama 226-8501, Japan Fax: þ81-45-924-5795 E-mail:msakurai@bio.titech.ac.jp [b] Y.Harano Institute for Protein Research,Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan [c] R.Roth Institut fur Theoretische Physik,Universita t Erlangen-Nurnberg, Staudtstrasse 7, 91058 Erlangen,Germany [d] M.Kinoshita Institute of Advanced Energy,Kyoto University,Uji, Kyoto 611-0011, Japan