Computationally accelerated identification of P-glycoprotein inhibitors

• Lauren A. McCormick ,

  Contributed equally to this work with: Lauren A. McCormick, James W. McCormick

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

  Affiliations Department of Biological Sciences, Southern Methodist University, Dallas, Texas, United States of America, Center for Drug Discovery, Design and Delivery, Southern Methodist University, Dallas, Texas, United States of America, Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

  https://orcid.org/0000-0001-9164-0932

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• James W. McCormick ,

  Contributed equally to this work with: Lauren A. McCormick, James W. McCormick

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

  Affiliations Department of Biological Sciences, Southern Methodist University, Dallas, Texas, United States of America, Center for Drug Discovery, Design and Delivery, Southern Methodist University, Dallas, Texas, United States of America, Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

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• Chanyang Park,

  Roles Investigation, Methodology

  Affiliations Department of Biological Sciences, Southern Methodist University, Dallas, Texas, United States of America, Center for Drug Discovery, Design and Delivery, Southern Methodist University, Dallas, Texas, United States of America, Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

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• Courtney A. Follit,

  Roles Data curation, Investigation, Methodology

  Affiliations Department of Biological Sciences, Southern Methodist University, Dallas, Texas, United States of America, Center for Drug Discovery, Design and Delivery, Southern Methodist University, Dallas, Texas, United States of America

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• John G. Wise,

  Roles Conceptualization, Data curation, Funding acquisition, Methodology, Software, Supervision, Writing – original draft, Writing – review & editing

  Affiliations Department of Biological Sciences, Southern Methodist University, Dallas, Texas, United States of America, Center for Drug Discovery, Design and Delivery, Southern Methodist University, Dallas, Texas, United States of America, Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

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• Pia D. Vogel

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

  * E-mail: pvogel@smu.edu

  Affiliations Department of Biological Sciences, Southern Methodist University, Dallas, Texas, United States of America, Center for Drug Discovery, Design and Delivery, Southern Methodist University, Dallas, Texas, United States of America

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