Relative contributions of desolvation, i
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Peter A. Sims; Chung F. Wong; Danka Vuga; J. Andrew McCammon; Bartholomew M. Sef
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Article
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2005
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John Wiley and Sons
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English
⚖ 211 KB
## Abstract In several previous studies, we performed sensitivity analysis to gauge the relative importance of different atomic partial charges in determining protein–ligand binding. In this work, we gain further insights by decomposing these results into three contributions: desolvation, intramole