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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.

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Title: CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.
Authors: Li F; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Ackloo S; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Arrowsmith CH; 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., Ban F; Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada., Barden CJ; Treventis Corporation, Toronto, Ontario M5T 0S8, Canada.; University Health Network, Toronto, Ontario M5G 2C4, Canada., Beck H; Bayer AG, Drug Discovery Sciences, 42096 Wuppertal, Germany., Beránek J; Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technická 5, 16628 Prague Czech Republic., Berenger F; Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8561, Japan., Bolotokova A; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Bret G; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France., Breznik M; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Carosati E; Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste, Italy., Chau I; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Chen Y; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Cherkasov A; Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada., Corte DD; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States., Denzinger K; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Dong A; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Draga S; Virtual Discovery, Inc., Boston, Massachusetts 02108, United States.; Non-Governmental Research Organization Biologic, 14 Schitului Street, Bucharest 032044, Romania., Dunn I; Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Edfeldt K; Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, 171 76 Stockholm, Sweden., Edwards A; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada., Eguida M; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France., Eisenhuth P; 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., Friedrich L; Computational Drug Design, Merck KGaA, 64293 Darmstadt Germany., Fuerll A; Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany., Gardiner SS; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States., Gentile F; 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., Ghiabi P; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Gibson E; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Glavatskikh M; University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States., Gorgulla C; St. Jude Children's Research Hospital, Memphis, Tennessee 38105, United States.; Department of Physics, Harvard University, Cambridge, Massachusetts 02138, United States., Guenther J; Bayer AG, Drug Discovery Sciences, 13353 Berlin, Germany., Gunnarsson A; Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Mölndal 431 50, Sweden., Gusev F; 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., Gutkin E; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States., Halabelian L; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada., Harding RJ; 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., Hillisch A; UCB BioSciences GmbH, 40789 Monheim am Rhein, Germany., Hoffer L; Drug Discovery, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada., Hogner A; Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, 431 50 Gothenburg Sweden., Houliston S; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada., Irwin JJ; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States., Isayev O; 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., Ivanova A; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic., Jacquemard C; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France., Jarrett AJ; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States., Jensen JH; Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark., Kireev D; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States., Kleber J; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Koby SB; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States., Koes D; Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Kumar A; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045, Japan., Kurnikova MG; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States., Kutlushina A; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic., Lessel U; Boehringer Ingelheim Pharma GmbH & Co. KG, 88400 Biberach an der Riss, Germany., Liessmann F; Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany., Liu S; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Lu W; Galixir Technologies, 200100 Shanghai, China., Meiler J; 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., Mettu A; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States., Minibaeva G; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic., Moretti R; Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States., Morris CJ; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States., Narangoda C; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States., Noonan T; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Obendorf L; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Pach S; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Pandit A; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Perveen S; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Poda G; 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., Polishchuk P; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic., Puls K; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Pütter V; Nuvisan ICB GmBH, 89231 Neu-Ulm, Germany., Rognan D; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France., Roskams-Edris D; Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada., Schindler C; Computational Drug Design, Merck KGaA, 64293 Darmstadt Germany., Sindt F; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France., Spiwok V; Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technická 5, 16628 Prague Czech Republic., Steinmann C; Department of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, 9220, Aalborg, Denmark., Stevens RL; Department of Computer Science, University of Chicago, Chicago, Illinois 60637, United States.; Argonne National Laboratory, Lemont, Illinois 60439, United States., Talagayev V; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Tingey D; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States., Vu O; Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States., Walters WP; Relay Therapeutics, Cambridge, Massachusetts 02141, United States., Wang X; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States., Wang Z; Galixir Technologies, 200100 Shanghai, China.; Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China., Wolber G; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Wolf CA; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany., Wortmann L; Boehringer Ingelheim Pharma GmbH & Co. KG, 88400 Biberach an der Riss, Germany., Zeng H; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Zepeda CA; Treventis Corporation, Toronto, Ontario M5T 0S8, Canada., Zhang KYJ; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045, Japan., Zhang J; Galixir Technologies, 200100 Shanghai, China., Zheng S; Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China., Schapira M; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2024 Nov 25; Vol. 64 (22), pp. 8521-8536. Date of Electronic Publication: 2024 Nov 05.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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DbLabel: MEDLINE Ultimate
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PubType: Academic Journal
PubTypeId: academicJournal
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Items – Name: Title
  Label: Title
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  Data: CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Li+F%22">Li F</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Ackloo+S%22">Ackloo S</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Arrowsmith+CH%22">Arrowsmith CH</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Ban+F%22">Ban F</searchLink>; Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada.<br /><searchLink fieldCode="AU" term="%22Barden+CJ%22">Barden CJ</searchLink>; Treventis Corporation, Toronto, Ontario M5T 0S8, Canada.; University Health Network, Toronto, Ontario M5G 2C4, Canada.<br /><searchLink fieldCode="AU" term="%22Beck+H%22">Beck H</searchLink>; Bayer AG, Drug Discovery Sciences, 42096 Wuppertal, Germany.<br /><searchLink fieldCode="AU" term="%22Beránek+J%22">Beránek J</searchLink>; Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technická 5, 16628 Prague Czech Republic.<br /><searchLink fieldCode="AU" term="%22Berenger+F%22">Berenger F</searchLink>; Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8561, Japan.<br /><searchLink fieldCode="AU" term="%22Bolotokova+A%22">Bolotokova A</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Bret+G%22">Bret G</searchLink>; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.<br /><searchLink fieldCode="AU" term="%22Breznik+M%22">Breznik M</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Carosati+E%22">Carosati E</searchLink>; Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste, Italy.<br /><searchLink fieldCode="AU" term="%22Chau+I%22">Chau I</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Chen+Y%22">Chen Y</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Cherkasov+A%22">Cherkasov A</searchLink>; Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada.<br /><searchLink fieldCode="AU" term="%22Corte+DD%22">Corte DD</searchLink>; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States.<br /><searchLink fieldCode="AU" term="%22Denzinger+K%22">Denzinger K</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Dong+A%22">Dong A</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Draga+S%22">Draga S</searchLink>; Virtual Discovery, Inc., Boston, Massachusetts 02108, United States.; Non-Governmental Research Organization Biologic, 14 Schitului Street, Bucharest 032044, Romania.<br /><searchLink fieldCode="AU" term="%22Dunn+I%22">Dunn I</searchLink>; Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.<br /><searchLink fieldCode="AU" term="%22Edfeldt+K%22">Edfeldt K</searchLink>; Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, 171 76 Stockholm, Sweden.<br /><searchLink fieldCode="AU" term="%22Edwards+A%22">Edwards A</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada.<br /><searchLink fieldCode="AU" term="%22Eguida+M%22">Eguida M</searchLink>; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.<br /><searchLink fieldCode="AU" term="%22Eisenhuth+P%22">Eisenhuth P</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Friedrich+L%22">Friedrich L</searchLink>; Computational Drug Design, Merck KGaA, 64293 Darmstadt Germany.<br /><searchLink fieldCode="AU" term="%22Fuerll+A%22">Fuerll A</searchLink>; Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany.<br /><searchLink fieldCode="AU" term="%22Gardiner+SS%22">Gardiner SS</searchLink>; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States.<br /><searchLink fieldCode="AU" term="%22Gentile+F%22">Gentile F</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Ghiabi+P%22">Ghiabi P</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Gibson+E%22">Gibson E</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Glavatskikh+M%22">Glavatskikh M</searchLink>; University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.<br /><searchLink fieldCode="AU" term="%22Gorgulla+C%22">Gorgulla C</searchLink>; St. Jude Children's Research Hospital, Memphis, Tennessee 38105, United States.; Department of Physics, Harvard University, Cambridge, Massachusetts 02138, United States.<br /><searchLink fieldCode="AU" term="%22Guenther+J%22">Guenther J</searchLink>; Bayer AG, Drug Discovery Sciences, 13353 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Gunnarsson+A%22">Gunnarsson A</searchLink>; Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Mölndal 431 50, Sweden.<br /><searchLink fieldCode="AU" term="%22Gusev+F%22">Gusev F</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Gutkin+E%22">Gutkin E</searchLink>; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.<br /><searchLink fieldCode="AU" term="%22Halabelian+L%22">Halabelian L</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada.<br /><searchLink fieldCode="AU" term="%22Harding+RJ%22">Harding RJ</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Hillisch+A%22">Hillisch A</searchLink>; UCB BioSciences GmbH, 40789 Monheim am Rhein, Germany.<br /><searchLink fieldCode="AU" term="%22Hoffer+L%22">Hoffer L</searchLink>; Drug Discovery, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.<br /><searchLink fieldCode="AU" term="%22Hogner+A%22">Hogner A</searchLink>; Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, 431 50 Gothenburg Sweden.<br /><searchLink fieldCode="AU" term="%22Houliston+S%22">Houliston S</searchLink>; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.<br /><searchLink fieldCode="AU" term="%22Irwin+JJ%22">Irwin JJ</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States.<br /><searchLink fieldCode="AU" term="%22Isayev+O%22">Isayev O</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Ivanova+A%22">Ivanova A</searchLink>; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic.<br /><searchLink fieldCode="AU" term="%22Jacquemard+C%22">Jacquemard C</searchLink>; Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.<br /><searchLink fieldCode="AU" term="%22Jarrett+AJ%22">Jarrett AJ</searchLink>; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States.<br /><searchLink fieldCode="AU" term="%22Jensen+JH%22">Jensen JH</searchLink>; Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark.<br /><searchLink fieldCode="AU" term="%22Kireev+D%22">Kireev D</searchLink>; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States.<br /><searchLink fieldCode="AU" term="%22Kleber+J%22">Kleber J</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Koby+SB%22">Koby SB</searchLink>; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.<br /><searchLink fieldCode="AU" term="%22Koes+D%22">Koes D</searchLink>; Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.<br /><searchLink fieldCode="AU" term="%22Kumar+A%22">Kumar A</searchLink>; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045, Japan.<br /><searchLink fieldCode="AU" term="%22Kurnikova+MG%22">Kurnikova MG</searchLink>; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.<br /><searchLink fieldCode="AU" term="%22Kutlushina+A%22">Kutlushina A</searchLink>; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic.<br /><searchLink fieldCode="AU" term="%22Lessel+U%22">Lessel U</searchLink>; Boehringer Ingelheim Pharma GmbH & Co. KG, 88400 Biberach an der Riss, Germany.<br /><searchLink fieldCode="AU" term="%22Liessmann+F%22">Liessmann F</searchLink>; Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany.<br /><searchLink fieldCode="AU" term="%22Liu+S%22">Liu S</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Lu+W%22">Lu W</searchLink>; Galixir Technologies, 200100 Shanghai, China.<br /><searchLink fieldCode="AU" term="%22Meiler+J%22">Meiler J</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Mettu+A%22">Mettu A</searchLink>; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States.<br /><searchLink fieldCode="AU" term="%22Minibaeva+G%22">Minibaeva G</searchLink>; Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic.<br /><searchLink fieldCode="AU" term="%22Moretti+R%22">Moretti R</searchLink>; Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States.<br /><searchLink fieldCode="AU" term="%22Morris+CJ%22">Morris CJ</searchLink>; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States.<br /><searchLink fieldCode="AU" term="%22Narangoda+C%22">Narangoda C</searchLink>; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.<br /><searchLink fieldCode="AU" term="%22Noonan+T%22">Noonan T</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Obendorf+L%22">Obendorf L</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Pach+S%22">Pach S</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Pandit+A%22">Pandit A</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Perveen+S%22">Perveen S</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Poda+G%22">Poda G</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Polishchuk+P%22">Polishchuk P</searchLink>; 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Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France.<br /><searchLink fieldCode="AU" term="%22Spiwok+V%22">Spiwok V</searchLink>; Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technická 5, 16628 Prague Czech Republic.<br /><searchLink fieldCode="AU" term="%22Steinmann+C%22">Steinmann C</searchLink>; Department of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, 9220, Aalborg, Denmark.<br /><searchLink fieldCode="AU" term="%22Stevens+RL%22">Stevens RL</searchLink>; Department of Computer Science, University of Chicago, Chicago, Illinois 60637, United States.; Argonne National Laboratory, Lemont, Illinois 60439, United States.<br /><searchLink fieldCode="AU" term="%22Talagayev+V%22">Talagayev V</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Tingey+D%22">Tingey D</searchLink>; Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States.<br /><searchLink fieldCode="AU" term="%22Vu+O%22">Vu O</searchLink>; Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States.<br /><searchLink fieldCode="AU" term="%22Walters+WP%22">Walters WP</searchLink>; Relay Therapeutics, Cambridge, Massachusetts 02141, United States.<br /><searchLink fieldCode="AU" term="%22Wang+X%22">Wang X</searchLink>; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States.<br /><searchLink fieldCode="AU" term="%22Wang+Z%22">Wang Z</searchLink>; Galixir Technologies, 200100 Shanghai, China.; Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China.<br /><searchLink fieldCode="AU" term="%22Wolber+G%22">Wolber G</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Wolf+CA%22">Wolf CA</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Wortmann+L%22">Wortmann L</searchLink>; Boehringer Ingelheim Pharma GmbH & Co. KG, 88400 Biberach an der Riss, Germany.<br /><searchLink fieldCode="AU" term="%22Zeng+H%22">Zeng H</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Zepeda+CA%22">Zepeda CA</searchLink>; Treventis Corporation, Toronto, Ontario M5T 0S8, Canada.<br /><searchLink fieldCode="AU" term="%22Zhang+KYJ%22">Zhang KYJ</searchLink>; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045, Japan.<br /><searchLink fieldCode="AU" term="%22Zhang+J%22">Zhang J</searchLink>; Galixir Technologies, 200100 Shanghai, China.<br /><searchLink fieldCode="AU" term="%22Zheng+S%22">Zheng S</searchLink>; Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China.<br /><searchLink fieldCode="AU" term="%22Schapira+M%22">Schapira M</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2024 Nov 25; Vol. 64 (22), pp. 8521-8536. <i>Date of Electronic Publication: </i>2024 Nov 05.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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      – TitleFull: CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.
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              Text: 2024 Nov 25
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