Development of a Robust Indirect Approach for MM → QM Free Energy Calculations That Combines Force-Matched Reference Potential and Bennett’s Acceptance Ratio Methods

标题
Development of a Robust Indirect Approach for MM → QM Free Energy Calculations That Combines Force-Matched Reference Potential and Bennett’s Acceptance Ratio Methods
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 15, Issue 10, Pages 5543-5562
出版商
American Chemical Society (ACS)
发表日期
2019-09-11
DOI
10.1021/acs.jctc.9b00401

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