Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function

• Charleen G. Don,

  Roles Data curation, Formal analysis, Investigation, Validation, Visualization, Writing – original draft

  Affiliation Molecular Modeling Group, Department of Pharmaceutical Sciences, University of Basel, Basel, Switzerland

  http://orcid.org/0000-0002-1257-3274

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• Martin Smieško

  Roles Conceptualization, Methodology, Project administration, Resources, Supervision, Writing – original draft, Writing – review & editing

  * E-mail: martin.smiesko@unibas.ch

  Affiliation Molecular Modeling Group, Department of Pharmaceutical Sciences, University of Basel, Basel, Switzerland

  http://orcid.org/0000-0003-2758-2680

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