ArticleJournal of chemical information and modeling2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.
Abstract read
In one paragraph
Article in Journal of chemical information and modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
5 citing papers in PubMed.
- Pushing the boundaries of virtual screening scale of combinatorial spaces with the V-SYNTHES approach.npj drug discovery · 2026Article
- Library Docking for Cannabinoid-2 Receptor Ligands.Journal of medicinal chemistry · 2026Article
- Deep docking, part 2: an amplified DDU platform for ultra-large virtual screening.Chemical science · 2026Article
- Generative AI in structure-based drug discovery.BMC biology · 2026Review
- Library docking for Cannabinoid-2 Receptor ligands.bioRxiv : the preprint server for biology · 2026Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
83 authors.
Oleksandra HerasymenkoStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Madhushika SilvaStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Galen J CorreyDepartment of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, California 94158, United States.
Abd Al-Aziz A Abu-SalehDepartment of Chemistry and Biochemistry, University of Windsor, 401 Sunset Avenue, Windsor, Ontario N9B 3P4, Canada.
Suzanne AcklooStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.ORCID 0000-0002-9696-1839
Cheryl ArrowsmithStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Alan AshworthHelen Diller Family Comprehensive Cancer Center, University of California, San Francisco, San Francisco, California 94143, United States.
Fuqiang BanVancouver Prostate Centre, 2660 Oak Street, Vancouver, British Columbia V6H3Z6, Canada.
Hartmut BeckBayer AG, Drug Discovery Sciences, Wuppertal 42113, Germany.ORCID 0000-0002-7826-8467
Kevin P BishopDrug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.ORCID 0000-0002-8357-854X
Hugo J BohórquezDrug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.
Albina BolotokovaStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Marko BreznikMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.
Irene ChauStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Yu ChenMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.
Artem CherkasovUniversity of British Columbia, Vancouver, British Columbia V6H 3Z6, Canada.ORCID 0000-0002-1599-1439
Wim DehaenCZ-OPENSCREEN, Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, 16 628 Prague 6, Czech Republic.
Dennis Della CorteDepartment of Physics and Astronomy, Brigham Young University, Provo 84602, Utah.ORCID 0000-0002-8884-9724
Katrin DenzingerMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.
Niklas P DoeringMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.
Kristina EdfeldtStructural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, Stockholm 171 76, Sweden.
Aled EdwardsStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.ORCID 0000-0002-4782-6016
Darren FayneDCU Life Sciences Institute, Dublin City University, Dublin D09 DXA0, Ireland.ORCID 0000-0003-2417-5406
Francesco GentileDepartment of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada.
Elisa GibsonStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.ORCID 0000-0002-7112-337X
Ozan GokdemirUniversity of Chicago, Chicago, Illinois 60637, United States.ORCID 0000-0001-5299-1983
Anders GunnarssonProtein, Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Gothenburg 43150, Sweden.
Judith GüntherBayer AG, Drug Discovery Sciences, Berlin 13353, Germany.ORCID 0000-0001-5794-8984
John J IrwinDepartment of Pharmaceutical Chemistry, University of California San Francisco, 1700 Fourth St, San Francisco, California 94158-2330, United States.
Jan Halborg JensenDepartment of Chemistry, University of Copenhagen, 1353 Copenhagen, Denmark.ORCID 0000-0002-1465-1010
Rachel J HardingStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.ORCID 0000-0002-1134-391X
Alexander HillischUCB BioSciences GmbH, Rolf-Schwarz-Schütte-Platz 1, 40789 Monheim am Rhein, Germany.
Laurent HofferDrug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.
Anders HognerMedicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Gothenburg 43150, Sweden.ORCID 0000-0003-3823-4534
Ashley HutchinsonStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Shubhangi KandwalDCU Life Sciences Institute, Dublin City University, Dublin D09 DXA0, Ireland.
Andrea KarlovaDepartment of Computer Science, University College London, London WC1E 6BT, U.K.
Kushal KoiralaEshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
Sergei KotelnikovStony Brook University, Department of Applied Mathematics & Statistics, Stony Brook, New York 11794-3600, United States.ORCID 0000-0001-9400-101X
Dima KozakovStony Brook University, Department of Applied Mathematics & Statistics, Stony Brook, New York 11794-3600, United States.
Juyong LeeDepartment of Molecular Medicine and Biopharmaceutical Sciences, Seoul National University, 08826 Seoul, South Korea.ORCID 0000-0003-1174-4358
Soowon LeeCollege of Pharmacy, Seoul National University, 08826 Seoul, South Korea.
Uta LesselBoehringer Ingelheim Pharma GmbH & Co., KG, Birkendorfer Str. 65, 88397 Biberach an der Riss, Germany.
Sijie LiuMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.
Xuefeng LiuUniversity of Chicago, Chicago, Illinois 60637, United States.
Peter LoppnauStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Jens MeilerInstitute for Drug Discovery, Faculty of Medicine, Faculty of Mathematics and Informatics, Faculty of Chemistry and Mineralogy, University Leipzig, Leipzig 04109, Germany.
Rocco MorettiDepartment of Chemistry, Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States.ORCID 0000-0003-2162-1116
Yurii S MorozChemspace, Kyiv 02094, Ukraine.
Charuvaka MuvvaCenter for Natural Product Systems Biology, Korea Institute of Science and Technology, Gangneung 25451, Republic of Korea.
Tudor I OpreaExperts System Inc.,12730 High Bluff Drive, Suite 100, San Diego, California 92130, United States.ORCID 0000-0002-6195-6976
Brooks PaigeAI Centre, Department of Computer Science, University College London, London WC1E 6BT, U.K.
Amit PanditMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.
Keunwan ParkCenter for Natural Product Systems Biology, Korea Institute of Science and Technology, Gangneung 25451, Republic of Korea.
Gennady PodaDrug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.
Mykola V ProtopopovChemspace, Kyiv 02094, Ukraine.
Vera PütterNuvisan ICB GmbH, Berlin 13353, Germany.
Rahul RavichandranDepartment of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada.
Didier RognanLaboratoire d'Innovation Thérapeutique, UMR7200 CNRS-Université de Strasbourg, 67400 Illkirch, France.ORCID 0000-0002-0577-641X
Edina RostaDepartment of Physics and Astronomy, University College London, London WC1E 6BT, U.K.ORCID 0000-0002-9823-4766
Yogesh SabnisUCB Pharma, Braine-L'Alleud 1420, Belgium.
Thomas ScottDepartment of Chemistry, Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States.
Almagul SeitovaStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.
Purshotam SharmaDepartment of Chemistry and Biochemistry, University of Windsor, 401 Sunset Avenue, Windsor, Ontario N9B 3P4, Canada.
François SindtLaboratoire d'Innovation Thérapeutique, UMR7200 CNRS-Université de Strasbourg, 67400 Illkirch, France.
Minghu SongInstitute of Health and Medicine, Hefei Comprehensive National Science Center, Hefei, Anhui 230000, China.
Casper SteinmannDepartment of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, Aalborg, DK-9220, Denmark.ORCID 0000-0002-5638-1346
Rick StevensUniversity of Chicago, Chicago, Illinois 60637, United States.
Valerij TalagayevMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.ORCID 0000-0002-1907-9594
Valentyna V TararinaTaras Shevchenko National University of Kyiv, Kyiv 01033, Ukraine.
Olga TarkhanovaCenter for Scalable Data Analytics and Artificial Intelligence ScaDS.AI Dresden/Leipzig and School of Embedded Composite Artificial Intelligence SECAI, Dresden/Leipzig 01062, Germany.
Damon TingeyDepartment of Physics and Astronomy, Brigham Young University, Provo 84602, Utah.
John F TrantDepartment of Chemistry and Biochemistry, University of Windsor, 401 Sunset Avenue, Windsor, Ontario N9B 3P4, Canada.
Dakota TreleavenConscience Medicines Network, Toronto, Ontario M5G 1L7, Canada.ORCID 0009-0006-6458-0042
Alexander TropshaEshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.ORCID 0000-0003-3802-8896
Patrick WaltersRelay Therapeutics, Cambridge, Massachusetts 02141, United States.ORCID 0000-0003-2860-7958
Jude WellsDepartment of Computer Science, University College London, London WC1E 6BT, U.K.
Yvonne WestermaierBoehringer Ingelheim RCV, Dr. Boehringer-Gasse 5-11, 1121 Vienna, Austria.ORCID 0000-0002-0462-8650
Gerhard WolberMolecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.ORCID 0000-0002-5344-0048
Lars WortmannBoehringer Ingelheim Pharma GmbH & Co., KG, Birkendorfer Str. 65, Biberach an der Riss 88397, Germany.ORCID 0000-0001-6514-947X
Shuangjia ZhengShanghai Jiao Tong University, Shanghai 200030, China.
James S FraserDepartment of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, California 94158, United States.ORCID 0000-0002-5080-2859
Matthieu SchapiraStructural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.ORCID 0000-0002-1047-3309
Funding
Targeting Viroporins and Coronavirus M ProteinU19AI171110 · NIAID · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI James Solomon Fraser · 2022 to 2026
$103.4MResearch Project 1: Coronavirus antiviral lead development and combination testingU19AI171292 · NIAID · UNIV OF NORTH CAROLINA CHAPEL HILL · PI BARIC, RALPH S, WILLSON, TIMOTHY M · 2022 to 2022
$65.5MEquipment for Discovering and Manipulating Macromolecular Conformational EnsemblesR35GM145238 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI James Solomon Fraser · 2022 to 2026
$3.1MNIAID NIH HHS U19 AI171110NIAID NIH HHS U19 AI171292NIGMS NIH HHS R35 GM145238
Abstract
The third
Indexed as
Antiviral AgentsBetacoronavirusSARS-CoV-2Viral Nonstructural ProteinsDrug DesignDrug DiscoveryHumansLigandsPharmacophoreProtein DomainsSmall Molecule LibrariesAntiviral AgentsLigandsSmall Molecule LibrariesViral Nonstructural Proteins
Identifiers
What Socratic holds
Textmetadata
LicenceCC BY
Read underepoch 390
Registered trials
None linked
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.