标题
SAMPL6 host–guest challenge: binding free energies via a multistep approach
作者
关键词
SAMPL6, Host–guest, MMPBSA, DFT-D3, RI-DFT, Implicit solvent model, Computer-aided drug design
出版物
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume -, Issue -, Pages -
出版商
Springer Nature America, Inc
发表日期
2018-09-17
DOI
10.1007/s10822-018-0159-1
参考文献
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