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

Open Access

Peer-reviewed

Research Article

Logan S. Ahlstrom,

Affiliation Department of Molecular, Cellular, and Developmental Biology, University of Michigan, Ann Arbor, Michigan, United States of America
⨯
Ivan I. Vorontsov,

Current address: Ventana Medical Systems, Inc., 1910 E. Innovation Park Drive, Tucson, Arizona, United States of America

Affiliation Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona, United States of America
⨯
Jun Shi,

Affiliation Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona, United States of America
⨯
Osamu Miyashita

* E-mail: osamu.miyashita@riken.jp

Affiliation RIKEN Advanced Institute for Computational Science, Chuo-ku, Kobe, Hyogo, Japan
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Crystals
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Crystal structure
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Biochemical simulations
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Probability distribution
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Solutions
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Crystal lattices
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Simulation and modeling
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