Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 130, Issue 35, Pages 11582-+Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja803274p
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Funding
- Czech Ministry of Education [LC512]
- Czech Science Foundation [203/08/0114]
- European Molecular Biology Organization
- Alexander von Humboldt Foundation
- [Z40550506]
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Employing detailed atomistic modeling we study the mechanisms behind ion binding to proteins and other biomolecules and conclude that (1) small, hard ions bind via direct ion pairing to charged surface groups and (2) large, soft ions bind to nonpolar groups via a solvent assisted attraction. Our predictions are in qualitative agreement with bulk solution data and may provide an important clue for the basic understanding of ion-specific effects in biological systems.
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