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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Publicat a:PLoS One
Autors principals: Ahlstrom, Logan S., Vorontsov, Ivan I., Shi, Jun, Miyashita, Osamu
Format: Artigo
Idioma:Inglês
Publicat: Public Library of Science 2017
Matèries:
Research Article
Accés en línia: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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