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Dynamics of Hydration Water Plays a Key Role in Determining the Binding Thermodynamics of Protein Complexes

Interfacial waters are considered to play a crucial role in protein–protein interactions, but in what sense and why are they important? Here, using molecular dynamics simulations and statistical thermodynamic analyses, we demonstrate distinctive dynamic characteristics of the interfacial water and i...

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Pubblicato in:Sci Rep
Autori principali: Chong, Song-Ho, Ham, Sihyun
Natura: Artigo
Lingua:Inglês
Pubblicazione: Nature Publishing Group UK 2017
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5562873/
https://ncbi.nlm.nih.gov/pubmed/28821854
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-09466-w
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