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Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Fink, Elissa A; Bardine, Conner; Gahbauer, Stefan; Singh, Isha; Detomasi, Tyler C; White, Kris; Gu, Shuo; Wan, Xiaobo; Chen, Jun; Ary, Beatrice; Glenn, Isabella; O'Connell, Joseph; O'Donnell, Henry; Fajtová, Pavla; Lyu, Jiankun; Vigneron, Seth; Young, Nicholas J; Kondratov, Ivan S; Alisoltani, Arghavan; Simons, Lacy M; Lorenzo-Redondo, Ramon; Ozer, Egon A; Hultquist, Judd F; O'Donoghue, Anthony J; Moroz, Yurii S; Taunton, Jack; Renslo, Adam R; Irwin, John J; García-Sastre, Adolfo; Shoichet, Brian K; Craik, Charles S.
  • Fink EA; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Bardine C; Graduate Program in Biophysics, University of California-San Francisco, San Francisco, California, USA.
  • Gahbauer S; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Singh I; Graduate Program in Chemistry and Chemical Biology, University of California-San Francisco, San Francisco, California, USA.
  • Detomasi TC; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • White K; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Gu S; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Wan X; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
  • Chen J; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
  • Ary B; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Glenn I; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • O'Connell J; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • O'Donnell H; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Fajtová P; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Lyu J; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Vigneron S; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Young NJ; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California-San Diego, San Diego, California, USA.
  • Kondratov IS; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Alisoltani A; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Simons LM; Department of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, California, USA.
  • Lorenzo-Redondo R; Enamine Ltd., Kyïv, Ukraine.
  • Ozer EA; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, Kyïv, Ukraine.
  • Hultquist JF; Division of Infectious Diseases, Center for Pathogen Genomics and Microbial Evolution, Feinberg School of Medicine, Northwestern University, Chicago, Illinois, USA.
  • O'Donoghue AJ; Division of Infectious Diseases, Center for Pathogen Genomics and Microbial Evolution, Feinberg School of Medicine, Northwestern University, Chicago, Illinois, USA.
  • Moroz YS; Division of Infectious Diseases, Center for Pathogen Genomics and Microbial Evolution, Feinberg School of Medicine, Northwestern University, Chicago, Illinois, USA.
  • Taunton J; Division of Infectious Diseases, Center for Pathogen Genomics and Microbial Evolution, Feinberg School of Medicine, Northwestern University, Chicago, Illinois, USA.
  • Renslo AR; Division of Infectious Diseases, Center for Pathogen Genomics and Microbial Evolution, Feinberg School of Medicine, Northwestern University, Chicago, Illinois, USA.
  • Irwin JJ; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California-San Diego, San Diego, California, USA.
  • García-Sastre A; National Taras Shevchenko University of Kyïv, Kyïv, Ukraine.
  • Shoichet BK; Chemspace LLC, Kyïv, Ukraine.
  • Craik CS; Department of Cellular and Molecular Pharmacology, University of California-San Francisco, San Francisco, California, USA.
Protein Sci ; 32(8): e4712, 2023 08.
Article en En | MEDLINE | ID: mdl-37354015
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: COVID-19 Límite: Humans Idioma: En Año: 2023 Tipo del documento: Article
Texto completo
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XML
PubMed Links
Search on Google

Texto completo: 1 Banco de datos: MEDLINE Asunto principal: COVID-19 Límite: Humans Idioma: En Año: 2023 Tipo del documento: Article