Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments

• Rong Shen,

  Affiliation Department of Biochemistry and Molecular Biology, Gordon Center for Integrative Science, University of Chicago, Chicago, Illinois, United States of America

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• Wei Han,

  Affiliation Beckman Institute, University of Illinois at Urbana–Champaign, Urbana, Illinois, United States of America

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• Giacomo Fiorin,

  Affiliation Institute for Computational Molecular Science, Temple University, Philadelphia, Pennsylvania, United States of America

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• Shahidul M. Islam,

  Affiliation Department of Biochemistry and Molecular Biology, Gordon Center for Integrative Science, University of Chicago, Chicago, Illinois, United States of America

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• Klaus Schulten,

  Affiliation Beckman Institute, University of Illinois at Urbana–Champaign, Urbana, Illinois, United States of America

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• Benoît Roux

  * E-mail: roux@uchicago.edu

  Affiliation Department of Biochemistry and Molecular Biology, Gordon Center for Integrative Science, University of Chicago, Chicago, Illinois, United States of America

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