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Ultra-large library docking for discovering new chemotypes.
Lyu, Jiankun; Wang, Sheng; Balius, Trent E; Singh, Isha; Levit, Anat; Moroz, Yurii S; O'Meara, Matthew J; Che, Tao; Algaa, Enkhjargal; Tolmachova, Kateryna; Tolmachev, Andrey A; Shoichet, Brian K; Roth, Bryan L; Irwin, John J.
  • Lyu J; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.
  • Wang S; State Key Laboratory of Bioreactor Engineering, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, China.
  • Balius TE; State Key Laboratory of Molecular Biology, CAS Center for Excellence in Molecular Cell Science, Shanghai Institute of Biochemistry and Cell Biology, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Shanghai, China.
  • Singh I; Department of Pharmacology, University of North Carolina at Chapel Hill School of Medicine, Chapel Hill, NC, USA.
  • Levit A; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.
  • Moroz YS; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.
  • O'Meara MJ; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.
  • Che T; National Taras Shevchenko University of Kiev, Kiev, Ukraine.
  • Algaa E; Chemspace, Riga, Latvia.
  • Tolmachova K; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.
  • Tolmachev AA; Department of Pharmacology, University of North Carolina at Chapel Hill School of Medicine, Chapel Hill, NC, USA.
  • Shoichet BK; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.
  • Roth BL; Enamine, Kiev, Ukraine.
  • Irwin JJ; Enamine, Kiev, Ukraine.
Nature ; 566(7743): 224-229, 2019 02.
Article en En | MEDLINE | ID: mdl-30728502
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Agonistas de Dopamina / Bibliotecas de Moléculas Pequeñas / Simulación del Acoplamiento Molecular / Inhibidores de beta-Lactamasas Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Año: 2019 Tipo del documento: Article
Texto completo
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Agonistas de Dopamina / Bibliotecas de Moléculas Pequeñas / Simulación del Acoplamiento Molecular / Inhibidores de beta-Lactamasas Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Año: 2019 Tipo del documento: Article