Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis

• Xiaohu Hu,

  Roles Data curation, Formal analysis, Writing – original draft

  Affiliation Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, United States of America

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• Yibo Wang,

  Roles Data curation

  Affiliation Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, United States of America

  http://orcid.org/0000-0003-1262-4497

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• Amanda Hunkele,

  Roles Data curation

  Affiliation Department of Neurology and Molecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America

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• Davide Provasi,

  Roles Conceptualization, Formal analysis, Writing – review & editing

  Affiliation Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, United States of America

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• Gavril W. Pasternak,

  Roles Funding acquisition, Supervision, Validation, Writing – review & editing

  Affiliation Department of Neurology and Molecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America

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• Marta Filizola

  Roles Conceptualization, Funding acquisition, Resources, Supervision, Writing – original draft, Writing – review & editing

  * E-mail: marta.filizola@mssm.edu

  Affiliation Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, United States of America

  http://orcid.org/0000-0002-4382-8276

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