The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment

• Karmen Condic-Jurkic,

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

  Affiliations Research School of Chemistry, The Australian National University, Canberra, ACT 2601, Australia, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, ACT 4072, Australia

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• Nandhitha Subramanian,

  Roles Data curation, Formal analysis, Investigation

  Affiliations Research School of Chemistry, The Australian National University, Canberra, ACT 2601, Australia, School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, ACT 4072, Australia

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• Alan E. Mark,

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

  Affiliation School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, ACT 4072, Australia

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• Megan L. O’Mara

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

  * E-mail: megan.o’mara@anu.edu.au

  Affiliation Research School of Chemistry, The Australian National University, Canberra, ACT 2601, Australia

  http://orcid.org/0000-0002-8764-1585

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