The E^2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors

• Ravi Kumar Verma,

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

  Affiliation Computational Chemistry and Molecular Biophysics Unit, Molecular Targets and Medications Discovery Branch, National Institute on Drug Abuse—Intramural Research Program, National Institutes of Health, Baltimore, Maryland, United States

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• Ara M. Abramyan,

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

  Affiliation Computational Chemistry and Molecular Biophysics Unit, Molecular Targets and Medications Discovery Branch, National Institute on Drug Abuse—Intramural Research Program, National Institutes of Health, Baltimore, Maryland, United States

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• Mayako Michino,

  Roles Data curation, Investigation, Methodology

  Current address: Tri-Institutional Therapeutics Discovery Institute, New York, New York, United States

  Affiliation Computational Chemistry and Molecular Biophysics Unit, Molecular Targets and Medications Discovery Branch, National Institute on Drug Abuse—Intramural Research Program, National Institutes of Health, Baltimore, Maryland, United States

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• R. Benjamin Free,

  Roles Conceptualization, Writing – review & editing

  Affiliation Molecular Neuropharmacology Section, National Institute of Neurologic Disorders and Stroke, National Institutes of Health, Bethesda, Maryland, United States

  http://orcid.org/0000-0002-2428-0487

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• David R. Sibley,

  Roles Conceptualization, Writing – review & editing

  Affiliation Molecular Neuropharmacology Section, National Institute of Neurologic Disorders and Stroke, National Institutes of Health, Bethesda, Maryland, United States

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• Jonathan A. Javitch,

  Roles Conceptualization, Writing – review & editing

  Affiliations Departments of Psychiatry and Pharmacology, College of Physicians and Surgeons, Columbia University, New York, New York, United States, Division of Molecular Therapeutics, New York State Psychiatric Institute, New York, New York, United States

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• J. Robert Lane,

  Roles Conceptualization, Writing – review & editing

  Affiliation Drug Discovery Biology, Department of Pharmacology and Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University (Parkville campus), Parkville, Victoria, Australia

  http://orcid.org/0000-0002-7361-7875

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• Lei Shi

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

  * E-mail: lei.shi2@nih.gov

  Affiliation Computational Chemistry and Molecular Biophysics Unit, Molecular Targets and Medications Discovery Branch, National Institute on Drug Abuse—Intramural Research Program, National Institutes of Health, Baltimore, Maryland, United States

  http://orcid.org/0000-0002-4137-096X

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