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Inter- and Intramolecular Interactions in Some Supramolecular Photochemical Systems

✍ Scribed by S. Delahaye; C. Loosli; S. X. Liu; S. Decurtins; G. Labat; A. Neels; A. Loosli; T. R. Ward; A. Hauser


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
636 KB
Volume
16
Category
Article
ISSN
1616-301X

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Relative contributions of desolvation, i
✍ Peter A. Sims; Chung F. Wong; Danka Vuga; J. Andrew McCammon; Bartholomew M. Sef 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 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