Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections
出版年份 2016 全文链接
标题
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections
作者
关键词
Free energy, Partition coefficients, Distribution coefficients, Non-Boltzmann Bennett, Implicit solvent, SAMPL5, pK<sub>a</sub>, Protomer, Tautomer
出版物
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 30, Issue 11, Pages 1087-1100
出版商
Springer Nature
发表日期
2016-09-19
DOI
10.1007/s10822-016-9955-7
参考文献
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