第一作者:
Fengling,Li
第一单位:
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.
作者:
Fengling,Li [1]
;
Suzanne,Ackloo [1]
;
Cheryl H,Arrowsmith [2]
;
Fuqiang,Ban [3]
;
Christopher J,Barden [4]
;
Hartmut,Beck [5]
;
Jan,Beránek [6]
;
Francois,Berenger [7]
;
Albina,Bolotokova [1]
;
Guillaume,Bret [8]
;
Marko,Breznik [9]
;
Emanuele,Carosati [10]
;
Irene,Chau [1]
;
Yu,Chen [9]
;
Artem,Cherkasov [3]
;
Dennis Della,Corte [11]
;
Katrin,Denzinger [9]
;
Aiping,Dong [1]
;
Sorin,Draga [12]
;
Ian,Dunn [13]
;
Kristina,Edfeldt [14]
;
Aled,Edwards [15]
;
Merveille,Eguida [8]
;
Paul,Eisenhuth [16]
;
Lukas,Friedrich [17]
;
Alexander,Fuerll [18]
;
Spencer S,Gardiner [11]
;
Francesco,Gentile [19]
;
Pegah,Ghiabi [1]
;
Elisa,Gibson [1]
;
Marta,Glavatskikh [20]
;
Christoph,Gorgulla [21]
;
Judith,Guenther [22]
;
Anders,Gunnarsson [23]
;
Filipp,Gusev [24]
;
Evgeny,Gutkin [25]
;
Levon,Halabelian [26]
;
Rachel J,Harding [27]
;
Alexander,Hillisch [28]
;
Laurent,Hoffer [29]
;
Anders,Hogner [30]
;
Scott,Houliston [31]
;
John J,Irwin [32]
;
Olexandr,Isayev [24]
;
Aleksandra,Ivanova [33]
;
Celien,Jacquemard [8]
;
Austin J,Jarrett [11]
;
Jan H,Jensen [34]
;
Dmitri,Kireev [35]
;
Julian,Kleber [9]
;
S Benjamin,Koby [25]
;
David,Koes [13]
;
Ashutosh,Kumar [36]
;
Maria G,Kurnikova [25]
;
Alina,Kutlushina [33]
;
Uta,Lessel [37]
;
Fabian,Liessmann [18]
;
Sijie,Liu [9]
;
Wei,Lu [38]
;
Jens,Meiler [39]
;
Akhila,Mettu [35]
;
Guzel,Minibaeva [33]
;
Rocco,Moretti [40]
;
Connor J,Morris [11]
;
Chamali,Narangoda [25]
;
Theresa,Noonan [9]
;
Leon,Obendorf [9]
;
Szymon,Pach [9]
;
Amit,Pandit [9]
;
Sumera,Perveen [1]
;
Gennady,Poda [41]
;
Pavel,Polishchuk [33]
;
Kristina,Puls [9]
;
Vera,Pütter [42]
;
Didier,Rognan [8]
;
Dylan,Roskams-Edris [43]
;
Christina,Schindler [17]
;
François,Sindt [8]
;
Vojtěch,Spiwok [6]
;
Casper,Steinmann [44]
;
Rick L,Stevens [45]
;
Valerij,Talagayev [9]
;
Damon,Tingey [11]
;
Oanh,Vu [40]
;
W Patrick,Walters [46]
;
Xiaowen,Wang [35]
;
Zhenyu,Wang [47]
;
Gerhard,Wolber [9]
;
Clemens Alexander,Wolf [9]
;
Lars,Wortmann [37]
;
Hong,Zeng [1]
;
Carlos A,Zepeda [48]
;
Kam Y J,Zhang [36]
;
Jixian,Zhang [38]
;
Shuangjia,Zheng [49]
;
Matthieu,Schapira [26]
作者单位:
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.
[1]
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Medical Biophysics, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.
[2]
Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada.
[3]
Treventis Corporation, Toronto, Ontario M5T 0S8, Canada.;University Health Network, Toronto, Ontario M5G 2C4, Canada.
[4]
Bayer AG, Drug Discovery Sciences, 42096 Wuppertal, Germany.
[5]
Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technická 5, 16628 Prague Czech Republic.
[6]
Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8561, Japan.
[7]
Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.
[8]
Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.
[9]
Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste, Italy.
[10]
Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States.
[11]
Virtual Discovery, Inc., Boston, Massachusetts 02108, United States.;Non-Governmental Research Organization Biologic, 14 Schitului Street, Bucharest 032044, Romania.
[12]
Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.
[13]
Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, 171 76 Stockholm, Sweden.
[14]
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada.
[15]
Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany.;Center for Scalable Data Analytics and Artificial Intelligence, Leipzig University, Leipzig, Saxony 04105, Germany.
[16]
Computational Drug Design, Merck KGaA, 64293 Darmstadt Germany.
[17]
Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany.
[18]
Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada.;Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada.;Ottawa Institute of Systems Biology, University of Ottawa, K1H 8M5 Ottawa, Ontario Canada.
[19]
University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
[20]
St. Jude Children's Research Hospital, Memphis, Tennessee 38105, United States.;Department of Physics, Harvard University, Cambridge, Massachusetts 02138, United States.
[21]
Bayer AG, Drug Discovery Sciences, 13353 Berlin, Germany.
[22]
Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Mölndal 431 50, Sweden.
[23]
Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.;Computational Biology Department, School of Computer Science, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.
[24]
Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.
[25]
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada.
[26]
Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.;Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada.
[27]
UCB BioSciences GmbH, 40789 Monheim am Rhein, Germany.
[28]
Drug Discovery, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.
[29]
Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, 431 50 Gothenburg Sweden.
[30]
Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.
[31]
Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States.
[32]
Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic.
[33]
Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark.
[34]
Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States.
[35]
Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045, Japan.
[36]
Boehringer Ingelheim Pharma GmbH & Co. KG, 88400 Biberach an der Riss, Germany.
[37]
Galixir Technologies, 200100 Shanghai, China.
[38]
Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany.;Center for Scalable Data Analytics and Artificial Intelligence, Leipzig University, Leipzig, Saxony 04105, Germany.;Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States.
[39]
Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States.
[40]
Drug Discovery, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.;Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.
[41]
Nuvisan ICB GmBH, 89231 Neu-Ulm, Germany.
[42]
Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada.
[43]
Department of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, 9220, Aalborg, Denmark.
[44]
Department of Computer Science, University of Chicago, Chicago, Illinois 60637, United States.;Argonne National Laboratory, Lemont, Illinois 60439, United States.
[45]
Relay Therapeutics, Cambridge, Massachusetts 02141, United States.
[46]
Galixir Technologies, 200100 Shanghai, China.;Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China.
[47]
Treventis Corporation, Toronto, Ontario M5T 0S8, Canada.
[48]
Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China.
[49]
DOI
10.1021/acs.jcim.4c01267
PMID
39499532
发布时间
2024-11-25
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Journal of chemical information and modeling
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