Predicting Affinity Through Homology (PATH): Interpretable binding affinity prediction with persistent homology

• Yuxi Long,

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

  Affiliation Department of Computer Science, Department of Mathematics, Duke University, Durham, North Carolina, United States of America

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• Bruce R. Donald

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

  * E-mail: brd+pcb25@cs.duke.edu

  Affiliations Department of Computer Science, Department of Mathematics, Duke University, Durham, North Carolina, United States of America, Department of Biochemistry, Department of Chemistry, Duke University and Duke University School of Medicine, Durham, North Carolina, United States of America

  https://orcid.org/0000-0001-6884-4398

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