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Research Article

Predicting Binding to P-Glycoprotein by Flexible Receptor Docking

  • Elena Dolghih mail,

    lena.dolgikh@ucsf.edu

    Affiliation: Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America

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  • Clifford Bryant,

    Affiliation: Small Molecule Discovery Center, University of California, San Francisco, San Francisco, California, United States of America

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  • Adam R. Renslo,

    Affiliations: Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America, Small Molecule Discovery Center, University of California, San Francisco, San Francisco, California, United States of America

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  • Matthew P. Jacobson

    Affiliation: Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America

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  • Published: June 23, 2011
  • DOI: 10.1371/journal.pcbi.1002083

About the Authors

Elena Dolghih, Adam R. Renslo, Matthew P. Jacobson
Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California, United States of America
Clifford Bryant, Adam R. Renslo
Small Molecule Discovery Center, University of California, San Francisco, San Francisco, California, United States of America

Corresponding Author

Email: lena.dolgikh@ucsf.edu

Competing Interests

I have read the journal's policy and have the following conflicts: MPJ is a consultant to Schrodinger LLC.

Author Contributions

Conceived and designed the experiments: ED CB ARR MPJ. Performed the experiments: ED CB. Analyzed the data: ED CB ARR MPJ. Contributed reagents/materials/analysis tools: ARR MPJ. Wrote the paper: ED CB ARR MPJ.