Molecular Dynamics Simulation-Based Evaluation of the Binding Free Energies of Computationally Designed Drug Candidates: Importance of the Dynamical Effects-Reference-Cited by-同舟云学术

Molecular Dynamics Simulation-Based Evaluation of the Binding Free Energies of Computationally Designed Drug Candidates: Importance of the Dynamical Effects

Published:2014 Issue:7 Volume:62 Page:661-667
ISSN:0009-2363
Container-title:Chemical and Pharmaceutical Bulletin
language:en
Short-container-title:CHEMICAL & PHARMACEUTICAL BULLETIN

Author:

Yamashita Takefumi¹,Ueda Akihiko²,Mitsui Takashi¹²,Tomonaga Atsushi²,Matsumoto Shunji²,Kodama Tatsuhiko¹,Fujitani Hideaki¹

Affiliation:

1. Laboratory for Systems Biology and Medicine, Research Center for Advanced Science and Technology, The University of Tokyo

2. Bio IT Development Office, Fujitsu Limited

Publisher

Pharmaceutical Society of Japan

Subject

Drug Discovery,General Chemistry,General Medicine

Link

https://www.jstage.jst.go.jp/article/cpb/62/7/62_c14-00132/_pdf

Reference38 articles.

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2. 2) Kalyaanamoorthy S., Chen Y.-P. P., Drug Discov. Today, 16, 831–839 (2011).

3. 3) Anderson A. C., Chem. Biol., 10, 787–797 (2003).

4. 4) Blaney J., J. Comput. Aided Mol. Des., 26, 13–14 (2012).

5. 5) McInnes C., Curr. Opin. Chem. Biol., 11, 494–502 (2007).

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