A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology

• Jacob D. Durrant ,

  * E-mail: jdurrant@ucsd.edu

  Affiliation Biomedical Sciences Program, University of California San Diego, La Jolla, California, United States of America

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• Rommie E. Amaro,

  Affiliation Department of Chemistry & Biochemistry, NSF Center for Theoretical Biological Physics, National Biomedical Computation Resource, University of California San Diego, La Jolla, California, United States of America

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• Lei Xie,

  Affiliation San Diego Supercomputer Center and Department of Pharmacology, University of California San Diego, La Jolla, California, United States of America

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• Michael D. Urbaniak,

  Affiliation Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee, United Kingdom

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• Michael A. J. Ferguson,

  Affiliation Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee, United Kingdom

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• Antti Haapalainen,

  Affiliation Biocenter Oulu and Department of Biochemistry, University of Oulu, Oulu, Finland

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• Zhijun Chen,

  Affiliation Biocenter Oulu and Department of Biochemistry, University of Oulu, Oulu, Finland

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• Anne Marie Di Guilmi,

  Affiliation Institut de Biologie Structurale CEA; CNRS UMR 5075; Université Joseph Fourier, Partnership for Structural Biology, Grenoble, France

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• Frank Wunder,

  Affiliation Lead Discovery Wuppertal, Bayer Schering Pharma AG, Wuppertal, Germany

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• Philip E. Bourne,

  Affiliation Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America

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• J. Andrew McCammon

  Affiliations Department of Chemistry & Biochemistry, NSF Center for Theoretical Biological Physics, National Biomedical Computation Resource, University of California San Diego, La Jolla, California, United States of America, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California, United States of America, Howard Hughes Medical Institute, University of California San Diego, La Jolla, California, United States of America

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