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Research Article

Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein

  • Freya Klepsch,

    Affiliation: Department of Medicinal Chemistry, University of Vienna, Vienna, Austria

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  • Peter Chiba,

    Affiliation: Institute of Medical Chemistry, Medical University of Vienna, Vienna, Austria

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  • Gerhard F. Ecker mail

    Gerhard.f.ecker@univie.ac.at

    Affiliation: Department of Medicinal Chemistry, University of Vienna, Vienna, Austria

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  • Published: May 12, 2011
  • DOI: 10.1371/journal.pcbi.1002036

About the Authors

Freya Klepsch, Gerhard F. Ecker
Department of Medicinal Chemistry, University of Vienna, Vienna, Austria
Peter Chiba
Institute of Medical Chemistry, Medical University of Vienna, Vienna, Austria

Corresponding Author

Email: Gerhard.f.ecker@univie.ac.at

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: FK GFE PC. Performed the experiments: FK. Analyzed the data: FK GFE PC. Contributed reagents/materials/analysis tools: GFE. Wrote the paper: FK GFE. Commented on and revised the manuscript: FK PC GFE. Supervised experiments: GFE.