Lund, Mikael and Vrbka, Lubos and Jungwirth, Pavel (2008) Specific ion binding to nonpolar surface patches of proteins. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130 (35). 11582-+. ISSN 0002-7863,
Full text not available from this repository. (Request a copy)Abstract
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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | HOFMEISTER-SERIES; MOLECULAR-DYNAMICS; SALT-SOLUTIONS; POTASSIUM; SODIUM; MACROMOLECULES; INTERFACE; LYSOZYME; FORCE; WATER; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 26 Oct 2020 07:16 |
| Last Modified: | 26 Oct 2020 07:16 |
| URI: | https://pred.uni-regensburg.de/id/eprint/30297 |
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