Force matching as a stepping stone to QM/MM CB[8] host/guest binding free energies: a SAMPL6 cautionary tale
出版年份 2018 全文链接
标题
Force matching as a stepping stone to QM/MM CB[8] host/guest binding free energies: a SAMPL6 cautionary tale
作者
关键词
-
出版物
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 32, Issue 10, Pages 983-999
出版商
Springer Nature America, Inc
发表日期
2018-10-01
DOI
10.1007/s10822-018-0165-3
参考文献
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