The Good, the Bad, and the Ugly: “HiPen”, a New Dataset for Validating (S)QM/MM Free Energy Simulations
出版年份 2019 全文链接
标题
The Good, the Bad, and the Ugly: “HiPen”, a New Dataset for Validating (S)QM/MM Free Energy Simulations
作者
关键词
-
出版物
MOLECULES
Volume 24, Issue 4, Pages 681
出版商
MDPI AG
发表日期
2019-02-15
DOI
10.3390/molecules24040681
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