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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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Detalles Bibliográficos
Autores principales: Ahlstrom, Logan S., Vorontsov, Ivan I., Shi, Jun, Miyashita, Osamu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5249168/
https://www.ncbi.nlm.nih.gov/pubmed/28107510
http://dx.doi.org/10.1371/journal.pone.0170337