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Ion-Specific Induced Fluctuations and Free Energetics of Aqueous Protein Hydrophobic Interfaces: Toward Connecting to Specific-Ion Behaviors at Aqueous Liquid–Vapor Interfaces
[Image: see text] We explore anion-induced interface fluctuations near protein–water interfaces using coarse-grained representations of interfaces as proposed by Willard and Chandler (J. Phys. Chem. B2010, 114, 1954−195820055377). We use umbrella sampling molecular dynamics to compute potentials of...
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| Main Authors: | , , , |
|---|---|
| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe: |
American
Chemical Society
2014
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| Rochtain Ar Líne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4010293/ https://ncbi.nlm.nih.gov/pubmed/24701961 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp4105294 |
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