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Hydrophobicity of protein surfaces: Separating geometry from chemistry

To better understand the role of surface chemical heterogeneity in natural nanoscale hydration, we study via molecular dynamics simulation the structure and thermodynamics of water confined between two protein-like surfaces. Each surface is constructed to have interactions with water corresponding t...

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Bibliografske podrobnosti
Main Authors: Giovambattista, Nicolas, Lopez, Carlos F., Rossky, Peter J., Debenedetti, Pablo G.
Format: Artigo
Jezik:Inglês
Izdano: National Academy of Sciences 2008
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC2268126/
https://ncbi.nlm.nih.gov/pubmed/18268339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0708088105
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