Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.

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第一作者： Edward B,Miller

第一单位： Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.

作者： Edward B,Miller ^[1] ; Robert B,Murphy ^[2] ; Daniel,Sindhikara ^[1] ; Kenneth W,Borrelli ^[1] ; Matthew J,Grisewood ^[1] ; Fabio,Ranalli ^[1] ; Steven L,Dixon ^[1] ; Steven,Jerome ^[2] ; Nicholas A,Boyles ^[3] ; Tyler,Day ^[1] ; Phani,Ghanakota ^[1] ; Sayan,Mondal ^[1] ; Salma B,Rafi ^[3] ; Dawn M,Troast ^[4] ; Robert,Abel ^[1] ; Richard A,Friesner ^[5]

作者单位： Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States. ^[1] Schrödinger, Inc., 10201 Wateridge Circle, San Diego, California 92121, United States. ^[2] Schrödinger, Inc., 101 SW Main Street, Portland, Oregon 97204, United States. ^[3] Morphic Therapeutic, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. ^[4] Department of Chemistry, Columbia University, 3000 Broadway, MC 3110, New York, New York 10036, United States. ^[5]

主题词配体(Ligands);蛋白质结合(Protein Binding);蛋白质类(Proteins)

DOI 10.1021/acs.jctc.1c00136

PMID 33779166

发布时间 2021-07-20

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