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Protein Solvent Shell Structure Provides Rapid Analysis of Hydration Dynamics

The solvation layer surrounding a protein is clearly an intrinsic part of protein structure-dynamics-function, and our understanding of how hydration dynamics influence protein function is emerging. We have recently reported simulations indicating a correlation between regional hydration dynamics an...

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Bibliographische Detailangaben
Veröffentlicht in:J Chem Inf Model
Hauptverfasser: Dahanayake, Jayangika N., Shahryari, Elaheh, Roberts, Kirsten M., Heikes, Micah E., Kasireddy, Chandana, Mitchell-Koch, Katie R.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2019
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8108405/
https://ncbi.nlm.nih.gov/pubmed/30865440
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00009
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