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Structural Characterization of Biomolecules through Atomistic Simulations Guided by DEER Measurements
Authors:Fabrizio Marinelli  Giacomo Fiorin
Affiliation:1. Theoretical Molecular Biophysics Laboratory, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD 20814, USA
Abstract:
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  • Keywords:restrained-average dynamics  double electron-electron resonance  coupling simulations and experiments  molecular dynamics  maximum entropy principle  adaptive biasing approach  T4 lysozyme  VcSiaP  substrate-binding protein  tripartite ATP-independent periplasmic transporter
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