View in EDS

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.

Saved in:
Bibliographic Details
Title: CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.
Authors: Herasymenko O; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Silva M; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Abu-Saleh AAA; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Ahmad A; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Alvarado-Huayhuaz J; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil., Arce OEA; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil., Armstrong RJ; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Arrowsmith C; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of Medical Biophysics, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada., Bachta KE; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States., Beck H; Bayer AG, Drug Discovery Sciences, Wuppertal, 42096, Germany., Berta D; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom., Bieniek MK; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Blay V; Department of Microbiology and Environmental Toxicology, University of California Santa Cruz, Santa Cruz, California 95064, United States., Bolotokova A; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Bourne PE; School of Data Science, University of Virginia, Charlottesville, Virginia 22904, United States of America., Breznik M; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany., Brown PJ; UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States., Campbell ADG; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Carosati E; Department of Chemistry and Pharmaceutical Sciences, University of Trieste, Trieste 34127, Italy., Chau I; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Cole DJ; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Cree B; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Dehaen W; Department of Organic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic.; Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic., Denzinger K; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany., Dos Santos Machado K; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil., Dunn I; Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Durai P; Korea Institute of Science and Technology, Seongbuk-gu, Seoul 02792, Republic of Korea., Edfeldt K; Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, Stockholm 171 76, Sweden., Edwards A; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Fayne D; DCU Life Sciences Institute, Dublin City University, Dublin, D09 DXA0, Ireland.; Molecular Design Group, School of Chemical Sciences, Dublin City University, Glasnevin, Dublin D09 V209, Ireland., Felfoldi D; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom., Friston K; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., 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., Günther J; Bayer AG, Drug Discovery Sciences, Berlin 13353, Germany., Gunnarsson A; Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Mölndal, Gothenburg 431 50, Sweden., Hillisch A; UCB, Monheim am Rhein 40789, Germany., Houston DR; School of Biological Sciences, University of Edinburgh, King's Buildings EH9 3BF, United Kingdom., Jensen JH; Department of Chemistry, University of Copenhagen, Universitetsparken 5, Copenhagen 2100, Denmark., Harding RJ; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada.; Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada., Harris KS; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Hoffer L; Drug Discovery Program, 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, Gothenburg 431 50, Sweden., Horton JT; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Houliston S; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada., Hultquist JF; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States.; Center for Pathogen Genomics and Microbial Evolution, Northwestern University Havey Institute for Global Health, Chicago, Illinois 60611, United States of America., Hutchinson A; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Irwin JJ; Pharmaceutical Chemistry, UCSF, 1700 fourth St, San Francisco California 94523, United States., Jukič M; Laboratory of Physical Chemistry and Chemical Thermodynamics, Faculty of Chemistry and Chemical Engineering, University of Maribor, Smetanova ulica 17, Maribor SI-2000, Slovenia.; Faculty of Mathematics, Natural Sciences and Information Technologies, University of Primorska, Glagoljaška ulica 8, Koper SI-6000, Slovenia., Kandwal S; Molecular Design Group, School of Biochemistry and Immunology, Trinity Biomedical Sciences Institute, Trinity College Dublin, 152-160 Pearse St, Dublin 2 D02 R590, Ireland.; DCU Life Sciences Institute, Dublin City University, Dublin, D09 DXA0, Ireland.; Molecular Design Group, School of Chemical Sciences, Dublin City University, Glasnevin, Dublin D09 V209, Ireland., Karlova A; Department of Computer Science, University College London, London OX3 7DQ, United Kingdom., Katis VL; Centre for Medicines Discovery, NDM Research Building, University of Oxford, Oxford OX3 7FZ, U.K., Kich RP; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States., Kireev D; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States of America., Koes D; Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Inniss NL; Department of Microbiology-Immunology, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611 United States of America., Lessel U; Boehringer Ingelheim Pharma GmbH & Co. KG Birkendorfer Str. 65, Biberach an der Riss 88397, Germany., Liu S; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany., Loppnau P; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Lu W; Galixir Technologies, Shanghai 200100, China., Martino S; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom., McGibbon M; Department of Chemistry, University of Copenhagen, Universitetsparken 5, Copenhagen 2100, Denmark., Meiler J; Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States of America.; Vanderbilt University, Department of Chemistry, Nashville, Tennessee 37240, United States of America., Mettu A; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States of America., Money-Kyrle S; Department of Microbiology and Environmental Toxicology, University of California Santa Cruz, Santa Cruz, California 95064, United States., Moretti R; Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States of America.; Vanderbilt University, Department of Chemistry, Nashville, Tennessee 37240, United States of America., Moroz YS; Chemspace, Kyiv 02094, Ukraine., Muvva C; Korea Institute of Science and Technology, Seongbuk-gu, Seoul 02792, Republic of Korea., Newman JA; Centre for Medicines Discovery, NDM Research Building, University of Oxford, Oxford OX3 7FZ, U.K., Obendorf L; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany., Paige B; Department of Computer Science, University College London, London OX3 7DQ, United Kingdom., Pandit A; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany., Park K; Korea Institute of Science and Technology, Seongbuk-gu, Seoul 02792, Republic of Korea., Perveen S; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Pirie R; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Poda G; Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.; Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada., Protopopov M; Chemspace, Kyiv 02094, Ukraine.; Taras Shevchenko National University of Kyiv, Kyiv 01601, Ukraine., Pütter V; Nuvisan ICB GmBH, Berlin 13353, Germany., Ricci F; University of Messina, Messina 98122, Italy., Roper NJ; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom., Rosta E; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom., Rzhetskaya M; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States.; Center for Pathogen Genomics and Microbial Evolution, Northwestern University Havey Institute for Global Health, Chicago, Illinois 60611, United States of America., Sabnis Y; UCB, Braine-L'Alleud 1420, Belgium., Satchell KJF; Department of Microbiology-Immunology, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611 United States of America., Schmitt Kremer F; OmixLab, Universidade Federal de Pelotas, Capão do Leão 96010-610, Brazil., Scott T; Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States of America.; Vanderbilt University, Department of Chemistry, Nashville, Tennessee 37240, United States of America., Seitova A; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada., Steinmann C; Department of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, Aalborg 9220, Denmark., Talagayev V; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany., Tarkhanova OO; Chemspace, Kyiv 02094, Ukraine., Tatum NJ; Newcastle University Centre for Cancer, Translational and Clinical Research Institute, Newcastle University, Paul O'Gorman Building, Framlington Place, Newcastle upon Tyne NE2 4HH, U.K., Treleaven D; Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada., Velasque Werhli A; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil., Walters WP; Relay Therapeutics, Cambridge, Massachusetts 02141, United States., Wang X; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States of America., Wells J; Department of Computer Science, University College London, London OX3 7DQ, United Kingdom., Wells G; Department of Pharmaceutical and Biological Chemistry, University College London, London WC1E 6BT, United Kingdom., Westermaier Y; Boehringer Ingelheim RCV, Dr. Boehringer-Gasse 5-11, Vienna 1121, Austria., Wolber G; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany., Wortmann L; Boehringer Ingelheim Pharma GmbH & Co. KG Birkendorfer Str. 65, Biberach an der Riss 88397, Germany., Zhang J; Galixir Technologies, Shanghai 200100, China., Zhao Z; School of Data Science, University of Virginia, Charlottesville, Virginia 22904, United States of America., Zheng S; Shanghai Jiao Tong University, Shanghai 200030, China., Schapira M; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2025 Jul 14; Vol. 65 (13), pp. 6884-6898. Date of Electronic Publication: 2025 Jun 20.
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
FullText Text:
  Availability: 0
Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 40539604
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Herasymenko+O%22">Herasymenko O</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Silva+M%22">Silva M</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Abu-Saleh+AAA%22">Abu-Saleh AAA</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Ahmad+A%22">Ahmad A</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Alvarado-Huayhuaz+J%22">Alvarado-Huayhuaz J</searchLink>; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil.<br /><searchLink fieldCode="AU" term="%22Arce+OEA%22">Arce OEA</searchLink>; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil.<br /><searchLink fieldCode="AU" term="%22Armstrong+RJ%22">Armstrong RJ</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Arrowsmith+C%22">Arrowsmith C</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of 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="%22Bachta+KE%22">Bachta KE</searchLink>; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States.<br /><searchLink fieldCode="AU" term="%22Beck+H%22">Beck H</searchLink>; Bayer AG, Drug Discovery Sciences, Wuppertal, 42096, Germany.<br /><searchLink fieldCode="AU" term="%22Berta+D%22">Berta D</searchLink>; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Bieniek+MK%22">Bieniek MK</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Blay+V%22">Blay V</searchLink>; Department of Microbiology and Environmental Toxicology, University of California Santa Cruz, Santa Cruz, California 95064, United States.<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="%22Bourne+PE%22">Bourne PE</searchLink>; School of Data Science, University of Virginia, Charlottesville, Virginia 22904, United States of America.<br /><searchLink fieldCode="AU" term="%22Breznik+M%22">Breznik M</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Brown+PJ%22">Brown PJ</searchLink>; UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.<br /><searchLink fieldCode="AU" term="%22Campbell+ADG%22">Campbell ADG</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Carosati+E%22">Carosati E</searchLink>; Department of Chemistry and Pharmaceutical Sciences, University of Trieste, Trieste 34127, 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="%22Cole+DJ%22">Cole DJ</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Cree+B%22">Cree B</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Dehaen+W%22">Dehaen W</searchLink>; Department of Organic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic.; Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 166 28, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Denzinger+K%22">Denzinger K</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Dos+Santos+Machado+K%22">Dos Santos Machado K</searchLink>; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil.<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="%22Durai+P%22">Durai P</searchLink>; Korea Institute of Science and Technology, Seongbuk-gu, Seoul 02792, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Edfeldt+K%22">Edfeldt K</searchLink>; Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, Stockholm 171 76, Sweden.<br /><searchLink fieldCode="AU" term="%22Edwards+A%22">Edwards A</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Fayne+D%22">Fayne D</searchLink>; DCU Life Sciences Institute, Dublin City University, Dublin, D09 DXA0, Ireland.; Molecular Design Group, School of Chemical Sciences, Dublin City University, Glasnevin, Dublin D09 V209, Ireland.<br /><searchLink fieldCode="AU" term="%22Felfoldi+D%22">Felfoldi D</searchLink>; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Friston+K%22">Friston K</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<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="%22Günther+J%22">Günther J</searchLink>; Bayer AG, Drug Discovery Sciences, Berlin 13353, Germany.<br /><searchLink fieldCode="AU" term="%22Gunnarsson+A%22">Gunnarsson A</searchLink>; Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Mölndal, Gothenburg 431 50, Sweden.<br /><searchLink fieldCode="AU" term="%22Hillisch+A%22">Hillisch A</searchLink>; UCB, Monheim am Rhein 40789, Germany.<br /><searchLink fieldCode="AU" term="%22Houston+DR%22">Houston DR</searchLink>; School of Biological Sciences, University of Edinburgh, King's Buildings EH9 3BF, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Jensen+JH%22">Jensen JH</searchLink>; Department of Chemistry, University of Copenhagen, Universitetsparken 5, Copenhagen 2100, Denmark.<br /><searchLink fieldCode="AU" term="%22Harding+RJ%22">Harding RJ</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada.; Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.<br /><searchLink fieldCode="AU" term="%22Harris+KS%22">Harris KS</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Hoffer+L%22">Hoffer L</searchLink>; Drug Discovery Program, 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, Gothenburg 431 50, Sweden.<br /><searchLink fieldCode="AU" term="%22Horton+JT%22">Horton JT</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<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="%22Hultquist+JF%22">Hultquist JF</searchLink>; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States.; Center for Pathogen Genomics and Microbial Evolution, Northwestern University Havey Institute for Global Health, Chicago, Illinois 60611, United States of America.<br /><searchLink fieldCode="AU" term="%22Hutchinson+A%22">Hutchinson A</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Irwin+JJ%22">Irwin JJ</searchLink>; Pharmaceutical Chemistry, UCSF, 1700 fourth St, San Francisco California 94523, United States.<br /><searchLink fieldCode="AU" term="%22Jukič+M%22">Jukič M</searchLink>; Laboratory of Physical Chemistry and Chemical Thermodynamics, Faculty of Chemistry and Chemical Engineering, University of Maribor, Smetanova ulica 17, Maribor SI-2000, Slovenia.; Faculty of Mathematics, Natural Sciences and Information Technologies, University of Primorska, Glagoljaška ulica 8, Koper SI-6000, Slovenia.<br /><searchLink fieldCode="AU" term="%22Kandwal+S%22">Kandwal S</searchLink>; Molecular Design Group, School of Biochemistry and Immunology, Trinity Biomedical Sciences Institute, Trinity College Dublin, 152-160 Pearse St, Dublin 2 D02 R590, Ireland.; DCU Life Sciences Institute, Dublin City University, Dublin, D09 DXA0, Ireland.; Molecular Design Group, School of Chemical Sciences, Dublin City University, Glasnevin, Dublin D09 V209, Ireland.<br /><searchLink fieldCode="AU" term="%22Karlova+A%22">Karlova A</searchLink>; Department of Computer Science, University College London, London OX3 7DQ, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Katis+VL%22">Katis VL</searchLink>; Centre for Medicines Discovery, NDM Research Building, University of Oxford, Oxford OX3 7FZ, U.K.<br /><searchLink fieldCode="AU" term="%22Kich+RP%22">Kich RP</searchLink>; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States.<br /><searchLink fieldCode="AU" term="%22Kireev+D%22">Kireev D</searchLink>; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States of America.<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="%22Inniss+NL%22">Inniss NL</searchLink>; Department of Microbiology-Immunology, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611 United States of America.<br /><searchLink fieldCode="AU" term="%22Lessel+U%22">Lessel U</searchLink>; Boehringer Ingelheim Pharma GmbH & Co. KG Birkendorfer Str. 65, Biberach an der Riss 88397, Germany.<br /><searchLink fieldCode="AU" term="%22Liu+S%22">Liu S</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Loppnau+P%22">Loppnau P</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Lu+W%22">Lu W</searchLink>; Galixir Technologies, Shanghai 200100, China.<br /><searchLink fieldCode="AU" term="%22Martino+S%22">Martino S</searchLink>; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom.<br /><searchLink fieldCode="AU" term="%22McGibbon+M%22">McGibbon M</searchLink>; Department of Chemistry, University of Copenhagen, Universitetsparken 5, Copenhagen 2100, Denmark.<br /><searchLink fieldCode="AU" term="%22Meiler+J%22">Meiler J</searchLink>; Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States of America.; Vanderbilt University, Department of Chemistry, Nashville, Tennessee 37240, United States of America.<br /><searchLink fieldCode="AU" term="%22Mettu+A%22">Mettu A</searchLink>; Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States of America.<br /><searchLink fieldCode="AU" term="%22Money-Kyrle+S%22">Money-Kyrle S</searchLink>; Department of Microbiology and Environmental Toxicology, University of California Santa Cruz, Santa Cruz, California 95064, United States.<br /><searchLink fieldCode="AU" term="%22Moretti+R%22">Moretti R</searchLink>; Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States of America.; Vanderbilt University, Department of Chemistry, Nashville, Tennessee 37240, United States of America.<br /><searchLink fieldCode="AU" term="%22Moroz+YS%22">Moroz YS</searchLink>; Chemspace, Kyiv 02094, Ukraine.<br /><searchLink fieldCode="AU" term="%22Muvva+C%22">Muvva C</searchLink>; Korea Institute of Science and Technology, Seongbuk-gu, Seoul 02792, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Newman+JA%22">Newman JA</searchLink>; Centre for Medicines Discovery, NDM Research Building, University of Oxford, Oxford OX3 7FZ, U.K.<br /><searchLink fieldCode="AU" term="%22Obendorf+L%22">Obendorf L</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Paige+B%22">Paige B</searchLink>; Department of Computer Science, University College London, London OX3 7DQ, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Pandit+A%22">Pandit A</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Park+K%22">Park K</searchLink>; Korea Institute of Science and Technology, Seongbuk-gu, Seoul 02792, Republic of Korea.<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="%22Pirie+R%22">Pirie R</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Poda+G%22">Poda G</searchLink>; Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.; Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.<br /><searchLink fieldCode="AU" term="%22Protopopov+M%22">Protopopov M</searchLink>; Chemspace, Kyiv 02094, Ukraine.; Taras Shevchenko National University of Kyiv, Kyiv 01601, Ukraine.<br /><searchLink fieldCode="AU" term="%22Pütter+V%22">Pütter V</searchLink>; Nuvisan ICB GmBH, Berlin 13353, Germany.<br /><searchLink fieldCode="AU" term="%22Ricci+F%22">Ricci F</searchLink>; University of Messina, Messina 98122, Italy.<br /><searchLink fieldCode="AU" term="%22Roper+NJ%22">Roper NJ</searchLink>; School of Natural and Environmental Sciences, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Rosta+E%22">Rosta E</searchLink>; Department of Physics and Astronomy, University College London, London WC1E 6BS, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Rzhetskaya+M%22">Rzhetskaya M</searchLink>; Division of Infectious Diseases, Department of Medicine, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611, United States.; Center for Pathogen Genomics and Microbial Evolution, Northwestern University Havey Institute for Global Health, Chicago, Illinois 60611, United States of America.<br /><searchLink fieldCode="AU" term="%22Sabnis+Y%22">Sabnis Y</searchLink>; UCB, Braine-L'Alleud 1420, Belgium.<br /><searchLink fieldCode="AU" term="%22Satchell+KJF%22">Satchell KJF</searchLink>; Department of Microbiology-Immunology, Northwestern University Feinberg School of Medicine, Chicago, Illinois 60611 United States of America.<br /><searchLink fieldCode="AU" term="%22Schmitt+Kremer+F%22">Schmitt Kremer F</searchLink>; OmixLab, Universidade Federal de Pelotas, Capão do Leão 96010-610, Brazil.<br /><searchLink fieldCode="AU" term="%22Scott+T%22">Scott T</searchLink>; Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States of America.; Vanderbilt University, Department of Chemistry, Nashville, Tennessee 37240, United States of America.<br /><searchLink fieldCode="AU" term="%22Seitova+A%22">Seitova A</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.<br /><searchLink fieldCode="AU" term="%22Steinmann+C%22">Steinmann C</searchLink>; Department of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, Aalborg 9220, Denmark.<br /><searchLink fieldCode="AU" term="%22Talagayev+V%22">Talagayev V</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Tarkhanova+OO%22">Tarkhanova OO</searchLink>; Chemspace, Kyiv 02094, Ukraine.<br /><searchLink fieldCode="AU" term="%22Tatum+NJ%22">Tatum NJ</searchLink>; Newcastle University Centre for Cancer, Translational and Clinical Research Institute, Newcastle University, Paul O'Gorman Building, Framlington Place, Newcastle upon Tyne NE2 4HH, U.K.<br /><searchLink fieldCode="AU" term="%22Treleaven+D%22">Treleaven D</searchLink>; Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada.<br /><searchLink fieldCode="AU" term="%22Velasque+Werhli+A%22">Velasque Werhli A</searchLink>; Center for Computational Sciences, Universidade Federal do Rio Grande - FURG, Rio Grande 96201-900, Brazil.<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 of America.<br /><searchLink fieldCode="AU" term="%22Wells+J%22">Wells J</searchLink>; Department of Computer Science, University College London, London OX3 7DQ, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Wells+G%22">Wells G</searchLink>; Department of Pharmaceutical and Biological Chemistry, University College London, London WC1E 6BT, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Westermaier+Y%22">Westermaier Y</searchLink>; Boehringer Ingelheim RCV, Dr. Boehringer-Gasse 5-11, Vienna 1121, Austria.<br /><searchLink fieldCode="AU" term="%22Wolber+G%22">Wolber G</searchLink>; Computational Molecular Design, Institute of Pharmacy, Freie Universität Berlin, Königin-Luisestr. 2 + 4, Berlin 14195, Germany.<br /><searchLink fieldCode="AU" term="%22Wortmann+L%22">Wortmann L</searchLink>; Boehringer Ingelheim Pharma GmbH & Co. KG Birkendorfer Str. 65, Biberach an der Riss 88397, Germany.<br /><searchLink fieldCode="AU" term="%22Zhang+J%22">Zhang J</searchLink>; Galixir Technologies, Shanghai 200100, China.<br /><searchLink fieldCode="AU" term="%22Zhao+Z%22">Zhao Z</searchLink>; School of Data Science, University of Virginia, Charlottesville, Virginia 22904, United States of America.<br /><searchLink fieldCode="AU" term="%22Zheng+S%22">Zheng S</searchLink>; Shanghai Jiao Tong University, Shanghai 200030, China.<br /><searchLink fieldCode="AU" term="%22Schapira+M%22">Schapira M</searchLink>; Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada.
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2025 Jul 14; Vol. 65 (13), pp. 6884-6898. <i>Date of Electronic Publication: </i>2025 Jun 20.
– Name: TypePub
  Label: Publication Type
  Group: TypPub
  Data: Journal Article
– Name: TitleSource
  Label: Journal Info
  Group: Src
  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
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=40539604
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1021/acs.jcim.5c00535
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        StartPage: 6884
    Titles:
      – TitleFull: CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Herasymenko O
      – PersonEntity:
          Name:
            NameFull: Silva M
      – PersonEntity:
          Name:
            NameFull: Abu-Saleh AAA
      – PersonEntity:
          Name:
            NameFull: Ahmad A
      – PersonEntity:
          Name:
            NameFull: Alvarado-Huayhuaz J
      – PersonEntity:
          Name:
            NameFull: Arce OEA
      – PersonEntity:
          Name:
            NameFull: Armstrong RJ
      – PersonEntity:
          Name:
            NameFull: Arrowsmith C
      – PersonEntity:
          Name:
            NameFull: Bachta KE
      – PersonEntity:
          Name:
            NameFull: Beck H
      – PersonEntity:
          Name:
            NameFull: Berta D
      – PersonEntity:
          Name:
            NameFull: Bieniek MK
      – PersonEntity:
          Name:
            NameFull: Blay V
      – PersonEntity:
          Name:
            NameFull: Bolotokova A
      – PersonEntity:
          Name:
            NameFull: Bourne PE
      – PersonEntity:
          Name:
            NameFull: Breznik M
      – PersonEntity:
          Name:
            NameFull: Brown PJ
      – PersonEntity:
          Name:
            NameFull: Campbell ADG
      – PersonEntity:
          Name:
            NameFull: Carosati E
      – PersonEntity:
          Name:
            NameFull: Chau I
      – PersonEntity:
          Name:
            NameFull: Cole DJ
      – PersonEntity:
          Name:
            NameFull: Cree B
      – PersonEntity:
          Name:
            NameFull: Dehaen W
      – PersonEntity:
          Name:
            NameFull: Denzinger K
      – PersonEntity:
          Name:
            NameFull: Dos Santos Machado K
      – PersonEntity:
          Name:
            NameFull: Dunn I
      – PersonEntity:
          Name:
            NameFull: Durai P
      – PersonEntity:
          Name:
            NameFull: Edfeldt K
      – PersonEntity:
          Name:
            NameFull: Edwards A
      – PersonEntity:
          Name:
            NameFull: Fayne D
      – PersonEntity:
          Name:
            NameFull: Felfoldi D
      – PersonEntity:
          Name:
            NameFull: Friston K
      – PersonEntity:
          Name:
            NameFull: Ghiabi P
      – PersonEntity:
          Name:
            NameFull: Gibson E
      – PersonEntity:
          Name:
            NameFull: Günther J
      – PersonEntity:
          Name:
            NameFull: Gunnarsson A
      – PersonEntity:
          Name:
            NameFull: Hillisch A
      – PersonEntity:
          Name:
            NameFull: Houston DR
      – PersonEntity:
          Name:
            NameFull: Jensen JH
      – PersonEntity:
          Name:
            NameFull: Harding RJ
      – PersonEntity:
          Name:
            NameFull: Harris KS
      – PersonEntity:
          Name:
            NameFull: Hoffer L
      – PersonEntity:
          Name:
            NameFull: Hogner A
      – PersonEntity:
          Name:
            NameFull: Horton JT
      – PersonEntity:
          Name:
            NameFull: Houliston S
      – PersonEntity:
          Name:
            NameFull: Hultquist JF
      – PersonEntity:
          Name:
            NameFull: Hutchinson A
      – PersonEntity:
          Name:
            NameFull: Irwin JJ
      – PersonEntity:
          Name:
            NameFull: Jukič M
      – PersonEntity:
          Name:
            NameFull: Kandwal S
      – PersonEntity:
          Name:
            NameFull: Karlova A
      – PersonEntity:
          Name:
            NameFull: Katis VL
      – PersonEntity:
          Name:
            NameFull: Kich RP
      – PersonEntity:
          Name:
            NameFull: Kireev D
      – PersonEntity:
          Name:
            NameFull: Koes D
      – PersonEntity:
          Name:
            NameFull: Inniss NL
      – PersonEntity:
          Name:
            NameFull: Lessel U
      – PersonEntity:
          Name:
            NameFull: Liu S
      – PersonEntity:
          Name:
            NameFull: Loppnau P
      – PersonEntity:
          Name:
            NameFull: Lu W
      – PersonEntity:
          Name:
            NameFull: Martino S
      – PersonEntity:
          Name:
            NameFull: McGibbon M
      – PersonEntity:
          Name:
            NameFull: Meiler J
      – PersonEntity:
          Name:
            NameFull: Mettu A
      – PersonEntity:
          Name:
            NameFull: Money-Kyrle S
      – PersonEntity:
          Name:
            NameFull: Moretti R
      – PersonEntity:
          Name:
            NameFull: Moroz YS
      – PersonEntity:
          Name:
            NameFull: Muvva C
      – PersonEntity:
          Name:
            NameFull: Newman JA
      – PersonEntity:
          Name:
            NameFull: Obendorf L
      – PersonEntity:
          Name:
            NameFull: Paige B
      – PersonEntity:
          Name:
            NameFull: Pandit A
      – PersonEntity:
          Name:
            NameFull: Park K
      – PersonEntity:
          Name:
            NameFull: Perveen S
      – PersonEntity:
          Name:
            NameFull: Pirie R
      – PersonEntity:
          Name:
            NameFull: Poda G
      – PersonEntity:
          Name:
            NameFull: Protopopov M
      – PersonEntity:
          Name:
            NameFull: Pütter V
      – PersonEntity:
          Name:
            NameFull: Ricci F
      – PersonEntity:
          Name:
            NameFull: Roper NJ
      – PersonEntity:
          Name:
            NameFull: Rosta E
      – PersonEntity:
          Name:
            NameFull: Rzhetskaya M
      – PersonEntity:
          Name:
            NameFull: Sabnis Y
      – PersonEntity:
          Name:
            NameFull: Satchell KJF
      – PersonEntity:
          Name:
            NameFull: Schmitt Kremer F
      – PersonEntity:
          Name:
            NameFull: Scott T
      – PersonEntity:
          Name:
            NameFull: Seitova A
      – PersonEntity:
          Name:
            NameFull: Steinmann C
      – PersonEntity:
          Name:
            NameFull: Talagayev V
      – PersonEntity:
          Name:
            NameFull: Tarkhanova OO
      – PersonEntity:
          Name:
            NameFull: Tatum NJ
      – PersonEntity:
          Name:
            NameFull: Treleaven D
      – PersonEntity:
          Name:
            NameFull: Velasque Werhli A
      – PersonEntity:
          Name:
            NameFull: Walters WP
      – PersonEntity:
          Name:
            NameFull: Wang X
      – PersonEntity:
          Name:
            NameFull: Wells J
      – PersonEntity:
          Name:
            NameFull: Wells G
      – PersonEntity:
          Name:
            NameFull: Westermaier Y
      – PersonEntity:
          Name:
            NameFull: Wolber G
      – PersonEntity:
          Name:
            NameFull: Wortmann L
      – PersonEntity:
          Name:
            NameFull: Zhang J
      – PersonEntity:
          Name:
            NameFull: Zhao Z
      – PersonEntity:
          Name:
            NameFull: Zheng S
      – PersonEntity:
          Name:
            NameFull: Schapira M
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 14
              M: 07
              Text: 2025 Jul 14
              Type: published
              Y: 2025
          Identifiers:
            – Type: issn-electronic
              Value: 1549-960X
          Numbering:
            – Type: volume
              Value: 65
            – Type: issue
              Value: 13
          Titles:
            – TitleFull: Journal of chemical information and modeling
              Type: main
ResultId 1