Predicting opioid receptor binding affinity of pharmacologically unclassified designer substances using molecular docking

• Christopher R. Ellis,

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

  Affiliation Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland, United States of America

  http://orcid.org/0000-0002-3150-2981

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• Naomi L. Kruhlak,

  Roles Conceptualization, Supervision, Writing – review & editing

  Affiliation Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland, United States of America

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• Marlene T. Kim,

  Roles Software, Writing – review & editing

  Affiliation Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland, United States of America

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• Edward G. Hawkins,

  Roles Writing – review & editing

  Affiliation Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland, United States of America

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• Lidiya Stavitskaya

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

  * E-mail: Lidiya.Stavitskaya@fda.hhs.gov

  Affiliation Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland, United States of America

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