Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host–guest binding: II. regression and dielectric constant
出版年份 2022 全文链接
标题
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host–guest binding: II. regression and dielectric constant
作者
关键词
-
出版物
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 36, Issue 12, Pages 879-894
出版商
Springer Science and Business Media LLC
发表日期
2022-11-17
DOI
10.1007/s10822-022-00487-w
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