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: Cui, Di, Ou, Shuching, Peters, Eric, Patel, Sandeep
Format: Artigo
Jezik:Inglês
Izdano: American Chemical Society 2014
Online dostop: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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