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Effect of the Crystal Environment on Side-Chain Conformational Dynamics in Cyanovirin-N Investigated through Crystal and Solution Molecular Dynamics Simulations

Side chains in protein crystal structures are essential for understanding biochemical processes such as catalysis and molecular recognition. However, crystal packing could influence side-chain conformation and dynamics, thus complicating functional interpretations of available experimental structure...

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Bibliografiske detaljer
Udgivet i:PLoS One
Main Authors: Ahlstrom, Logan S., Vorontsov, Ivan I., Shi, Jun, Miyashita, Osamu
Format: Artigo
Sprog:Inglês
Udgivet: Public Library of Science 2017
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5249168/
https://ncbi.nlm.nih.gov/pubmed/28107510
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0170337
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