Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity
出版年份 2011 全文链接
标题
Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 13, Issue 20, Pages 9155
出版商
Royal Society of Chemistry (RSC)
发表日期
2011-04-13
DOI
10.1039/c1cp20110g
参考文献
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- Accounting for Polarization Cost When Using Fixed Charge Force Fields. II. Method and Application for Computing Effect of Polarization Cost on Free Energy of Hydration
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- Good Practices in Free-Energy Calculations
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- The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)
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