Assessment of GAFF2 and OPLS-AA General Force Fields in Combination with the Water Models TIP3P, SPCE, and OPC3 for the Solvation Free Energy of Druglike Organic Molecules

标题
Assessment of GAFF2 and OPLS-AA General Force Fields in Combination with the Water Models TIP3P, SPCE, and OPC3 for the Solvation Free Energy of Druglike Organic Molecules
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 15, Issue 3, Pages 1983-1995
出版商
American Chemical Society (ACS)
发表日期
2019-01-30
DOI
10.1021/acs.jctc.8b01039

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