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Induced fit with replica exchange improves protein complex structure prediction

  • Ameya Harmalkar,

    Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Resources, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

    Affiliation Department of Chemical and Biomolecular Engineering, The Johns Hopkins University, Baltimore, Maryland, United States of America

  • Sai Pooja Mahajan,

    Roles Conceptualization, Supervision, Validation, Writing – review & editing

    Affiliation Department of Chemical and Biomolecular Engineering, The Johns Hopkins University, Baltimore, Maryland, United States of America

  • Jeffrey J. Gray

    Roles Conceptualization, Funding acquisition, Project administration, Resources, Supervision, Writing – review & editing

    jgray@jhu.edu

    Affiliation Department of Chemical and Biomolecular Engineering, The Johns Hopkins University, Baltimore, Maryland, United States of America

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