Converging free energies of binding in cucurbit[7]uril and octa-acid host–guest systems from SAMPL4 using expanded ensemble simulations
出版年份 2014 全文链接
标题
Converging free energies of binding in cucurbit[7]uril and octa-acid host–guest systems from SAMPL4 using expanded ensemble simulations
作者
关键词
Expanded ensemble, Host–guest, Binding free energy, Molecular dynamics
出版物
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 28, Issue 4, Pages 401-415
出版商
Springer Nature
发表日期
2014-03-07
DOI
10.1007/s10822-014-9716-4
参考文献
相关参考文献
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