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Research Article

Can the Energy Gap in the Protein-Ligand Binding Energy Landscape Be Used as a Descriptor in Virtual Ligand Screening?

  • Arsen V. Grigoryan mail,

    arsen.grigoryan@nyumc.org

    Affiliation: Department of Biochemistry and Molecular Pharmacology, New York University School of Medicine, New York, New York, United States of America

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  • Hong Wang,

    Affiliation: Department of Biochemistry and Molecular Pharmacology, New York University School of Medicine, New York, New York, United States of America

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  • Timothy J. Cardozo

    Affiliation: Department of Biochemistry and Molecular Pharmacology, New York University School of Medicine, New York, New York, United States of America

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  • Published: October 10, 2012
  • DOI: 10.1371/journal.pone.0046532

About the Authors

Arsen V. Grigoryan, Hong Wang, Timothy J. Cardozo
Department of Biochemistry and Molecular Pharmacology, New York University School of Medicine, New York, New York, United States of America

Corresponding Author

Email: arsen.grigoryan@nyumc.org

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Analyzed the data: AG TC. Wrote the paper: AG HW TC. Conceived and designed the study: AG TC. Performed docking experiments: AG HW. Wrote the scripts used in docking and analysis: AG.