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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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發表在:PLoS One
Main Authors: Ahlstrom, Logan S., Vorontsov, Ivan I., Shi, Jun, Miyashita, Osamu
格式: Artigo
語言:Inglês
出版: Public Library of Science 2017
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在線閱讀: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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