Predicting the viability of beta-lactamase: How folding and binding free energies correlate with beta-lactamase fitness

• Jordan Yang,

  Roles Data curation, Formal analysis, Methodology, Software, Visualization, Writing – review & editing

  Affiliation Department of Chemistry, Brown University, Providence, Rhode Island, United States of America

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• Nandita Naik,

  Roles Data curation, Formal analysis, Methodology

  Affiliation Department of Ecology and Evolutionary Biology, Brown University, Providence, Rhode Island, United States of America

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• Jagdish Suresh Patel,

  Roles Conceptualization, Formal analysis, Funding acquisition, Software, Writing – review & editing

  Affiliations Institute for Modeling Collaboration and Innovation, University of Idaho, Moscow, Idaho, United States of America, Department of Biological Sciences, University of Idaho, Moscow, Idaho, United States of America

  http://orcid.org/0000-0003-4999-5347

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• Christopher S. Wylie,

  Roles Data curation, Formal analysis, Methodology

  Affiliation Department of Ecology and Evolutionary Biology, Brown University, Providence, Rhode Island, United States of America

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• Wenze Gu,

  Roles Data curation, Formal analysis, Visualization

  Affiliation Department of Chemistry, Brown University, Providence, Rhode Island, United States of America

  http://orcid.org/0000-0003-3245-8684

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• Jessie Huang,

  Roles Data curation, Formal analysis, Software

  Affiliation Department of Chemistry, Wellesley College, Wellesley, Massachusetts, United States of America

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• F. Marty Ytreberg,

  Roles Formal analysis, Funding acquisition, Project administration

  Affiliations Institute for Modeling Collaboration and Innovation, University of Idaho, Moscow, Idaho, United States of America, Department of Physics, University of Idaho, Moscow, Idaho, United States of America

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• Mandar T. Naik,

  Roles Data curation, Formal analysis, Investigation, Methodology, Writing – review & editing

  Affiliation Department of Molecular Pharmacology, Physiology, and Biotechnology, Brown University, Providence, Rhode Island, United States of America

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• Daniel M. Weinreich,

  Roles Conceptualization, Investigation, Project administration, Supervision

  Affiliation Department of Ecology and Evolutionary Biology, Brown University, Providence, Rhode Island, United States of America

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• Brenda M. Rubenstein

  Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Supervision, Writing – original draft, Writing – review & editing

  * E-mail: brenda_rubenstein@brown.edu

  Affiliation Department of Chemistry, Brown University, Providence, Rhode Island, United States of America

  http://orcid.org/0000-0003-1643-0358

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