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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
Tse, Edwin G; Aithani, Laksh; Anderson, Mark; Cardoso-Silva, Jonathan; Cincilla, Giovanni; Conduit, Gareth J; Galushka, Mykola; Guan, Davy; Hallyburton, Irene; Irwin, Benedict W J; Kirk, Kiaran; Lehane, Adele M; Lindblom, Julia C R; Lui, Raymond; Matthews, Slade; McCulloch, James; Motion, Alice; Ng, Ho Leung; Öeren, Mario; Robertson, Murray N; Spadavecchio, Vito; Tatsis, Vasileios A; van Hoorn, Willem P; Wade, Alexander D; Whitehead, Thomas M; Willis, Paul; Todd, Matthew H.
Affiliation
  • Tse EG; School of Pharmacy, University College London, London WC1N 1AX, U.K.
  • Aithani L; Exscientia Ltd., The Schrödinger Building, Oxford Science Park, Oxford OX4 4GE, U.K.
  • Anderson M; Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee DD1 5EH, U.K.
  • Cardoso-Silva J; Department of Informatics, Faculty of Natural and Mathematical Sciences, King's College London, London WC2B 4BG, U.K.
  • Cincilla G; Molomics, Barcelona Science Park, Barcelona 08028, Spain.
  • Conduit GJ; Intellegens Ltd., Eagle Labs, Chesterton Road, Cambridge CB4 3AZ, U.K.
  • Galushka M; Theory of Condensed Matter Group, Cavendish Laboratories, University of Cambridge, Cambridge CB3 0HE, U.K.
  • Guan D; Auromind Ltd, 126 Eglantine Avenue, Belfast BT9 6EU, U.K.
  • Hallyburton I; School of Medical Sciences, The University of Sydney, Sydney, NSW 2006, Australia.
  • Irwin BWJ; Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee DD1 5EH, U.K.
  • Kirk K; Theory of Condensed Matter Group, Cavendish Laboratories, University of Cambridge, Cambridge CB3 0HE, U.K.
  • Lehane AM; Optibrium Ltd. Blenheim House, Denny End Road, Cambridge CB25 9QE, U.K.
  • Lindblom JCR; Research School of Biology, Australian National University, Canberra, ACT 2601, Australia.
  • Lui R; Research School of Biology, Australian National University, Canberra, ACT 2601, Australia.
  • Matthews S; Research School of Biology, Australian National University, Canberra, ACT 2601, Australia.
  • McCulloch J; School of Medical Sciences, The University of Sydney, Sydney, NSW 2006, Australia.
  • Motion A; School of Medical Sciences, The University of Sydney, Sydney, NSW 2006, Australia.
  • Ng HL; Kellerberrin, 6 Wharf Rd, Balmain, Sydney, NSW 2041, Australia.
  • Öeren M; School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia.
  • Robertson MN; Department of Biochemistry and Molecular Biophysics, Kansas State University, Manhattan Kansas 66506, United States.
  • Spadavecchio V; Optibrium Ltd. Blenheim House, Denny End Road, Cambridge CB25 9QE, U.K.
  • Tatsis VA; Strathclyde Institute Of Pharmacy And Biomedical Sciences, University of Strathclyde, Glasgow G4 ORE, U.K.
  • van Hoorn WP; Interlinked Therapeutics LLC, Portland, Oregon 97214, United States.
  • Wade AD; Exscientia Ltd., The Schrödinger Building, Oxford Science Park, Oxford OX4 4GE, U.K.
  • Whitehead TM; Exscientia Ltd., The Schrödinger Building, Oxford Science Park, Oxford OX4 4GE, U.K.
  • Willis P; Theory of Condensed Matter Group, Cavendish Laboratories, University of Cambridge, Cambridge CB3 0HE, U.K.
  • Todd MH; Intellegens Ltd., Eagle Labs, Chesterton Road, Cambridge CB4 3AZ, U.K.
J Med Chem ; 64(22): 16450-16463, 2021 11 25.
Article in En | MEDLINE | ID: mdl-34748707
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Full text: 1 Collection: 01-internacional Health context: 3_ND Database: MEDLINE Main subject: Calcium-Transporting ATPases / Enzyme Inhibitors / Drug Discovery / Models, Biological / Antimalarials Type of study: Prognostic_studies / Risk_factors_studies Limits: Humans Language: En Journal: J Med Chem Year: 2021 Document type: Article
Fulltext
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Full text: 1 Collection: 01-internacional Health context: 3_ND Database: MEDLINE Main subject: Calcium-Transporting ATPases / Enzyme Inhibitors / Drug Discovery / Models, Biological / Antimalarials Type of study: Prognostic_studies / Risk_factors_studies Limits: Humans Language: En Journal: J Med Chem Year: 2021 Document type: Article