Optimizing the Calculation of Free Energy Differences in Nonequilibrium Work SQM/MM Switching Simulations

标题
Optimizing the Calculation of Free Energy Differences in Nonequilibrium Work SQM/MM Switching Simulations
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 126, Issue 15, Pages 2798-2811
出版商
American Chemical Society (ACS)
发表日期
2022-04-12
DOI
10.1021/acs.jpcb.2c00696

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