Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
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- Lingle Wang
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Yujie Wu
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Yuqing Deng
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Byungchan Kim
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Levi Pierce
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Goran Krilov
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Dmitry Lupyan
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Shaughnessy Robinson
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Markus K. Dahlgren
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Jeremy Greenwood
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Donna L. Romero
- Nimbus Discovery, 25 First Street, Suite 404, Cambridge, Massachusetts 02141, United States
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- Craig Masse
- Nimbus Discovery, 25 First Street, Suite 404, Cambridge, Massachusetts 02141, United States
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- Jennifer L. Knight
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Thomas Steinbrecher
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Thijs Beuming
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Wolfgang Damm
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Ed Harder
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Woody Sherman
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Mark Brewer
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Ron Wester
- Nimbus Discovery, 25 First Street, Suite 404, Cambridge, Massachusetts 02141, United States
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- Mark Murcko
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Leah Frye
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Ramy Farid
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- Teng Lin
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
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- David L. Mobley
- Departments of Pharmaceutical Sciences and Chemistry, University of California—Irvine, Irvine, California 92697, United States
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- William L. Jorgensen
- Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States
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- Bruce J. Berne
- Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States
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- Richard A. Friesner
- Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States
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- Robert Abel
- Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States
収録刊行物
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- Journal of the American Chemical Society
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Journal of the American Chemical Society 137 (7), 2695-2703, 2015-02-12
American Chemical Society (ACS)
