Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2.

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第一作者： Merveille,Eguida

第一单位： Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, Strasbourg, France.

作者： Merveille,Eguida ^[1] ; Guillaume,Bret ^[1] ; François,Sindt ^[1] ; Fengling,Li ^[2] ; Irene,Chau ^[2] ; Suzanne,Ackloo ^[2] ; Cheryl,Arrowsmith ^[3] ; Albina,Bolotokova ^[2] ; Pegah,Ghiabi ^[2] ; Elisa,Gibson ^[2] ; Levon,Halabelian ^[3] ; Scott,Houliston ^[4] ; Rachel J,Harding ^[5] ; Ashley,Hutchinson ^[2] ; Peter,Loppnau ^[2] ; Sumera,Perveen ^[2] ; Almagul,Seitova ^[2] ; Hong,Zeng ^[2] ; Matthieu,Schapira ^[5] ; Didier,Rognan ^[1]

作者单位： Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, Strasbourg, France. ^[1] Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada. ^[2] Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada.;Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada. ^[3] Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada. ^[4] Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada.;Department of Pharmacology & Toxicology, University of Toronto, Toronto, ON M5G 1L7, Canada. ^[5]

主题词结合部位(Binding Sites);人类(Humans);配体(Ligands);蛋白质结合(Protein Binding);算法(Algorithms)

DOI 10.1021/acs.jcim.4c00601

PMID 38916159

发布时间 2024-07-08

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