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ACS Omega
(Aug 2019)
Enhancing Biomolecular Sampling with Reinforcement Learning: A Tree Search Molecular Dynamics Simulation Method
Kento Shin,
Duy Phuoc Tran,
Kazuhiro Takemura,
Akio Kitao,
Kei Terayama,
Koji Tsuda
Affiliations
Kento Shin
Graduate School of Frontier Sciences, The University of Tokyo, Chiba, Japan
Duy Phuoc Tran
Graduate School of Frontier Sciences, The University of Tokyo, Chiba, Japan
Kazuhiro Takemura
School of Life Sciences and Technology, Tokyo Institute of Technology, Tokyo, Japan
Akio Kitao
School of Life Sciences and Technology, Tokyo Institute of Technology, Tokyo, Japan
Kei Terayama
RIKEN Center for Advanced Intelligence Project, Tokyo, Japan
Koji Tsuda
Graduate School of Frontier Sciences, The University of Tokyo, Chiba, Japan
DOI
https://doi.org/10.1021/acsomega.9b01480
Journal volume & issue
Vol. 4, no. 9
pp. 13853 – 13862
Abstract
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No abstracts available.
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