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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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Detalhes bibliográficos
Publicado no:PLoS One
Main Authors: Ahlstrom, Logan S., Vorontsov, Ivan I., Shi, Jun, Miyashita, Osamu
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2017
Assuntos:
Acesso em linha: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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