Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations

标题
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 14, Issue 6, Pages 3228-3237
出版商
American Chemical Society (ACS)
发表日期
2018-05-17
DOI
10.1021/acs.jctc.8b00081

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