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Ligand Strain Energy in Large Library Docking.
Gu, Shuo; Smith, Matthew S; Yang, Ying; Irwin, John J; Shoichet, Brian K.
Affiliation
  • Gu S; Department of Pharmaceutical Chemistry, University of California, San Francisco, 1700 Fourth Street, San Francisco, California 94143-2550, United States.
  • Smith MS; Department of Pharmaceutical Chemistry, University of California, San Francisco, 1700 Fourth Street, San Francisco, California 94143-2550, United States.
  • Yang Y; Program of Biophysics, University of California, San Francisco, 1700 Fourth Street, San Francisco, California 94143-2550, United States.
  • Irwin JJ; Department of Pharmaceutical Chemistry, University of California, San Francisco, 1700 Fourth Street, San Francisco, California 94143-2550, United States.
  • Shoichet BK; Department of Pharmaceutical Chemistry, University of California, San Francisco, 1700 Fourth Street, San Francisco, California 94143-2550, United States.
J Chem Inf Model ; 61(9): 4331-4341, 2021 09 27.
Article in En | MEDLINE | ID: mdl-34467754
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Ligands Type of study: Observational_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2021 Type: Article Affiliation country: United States
Fulltext
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Ligands Type of study: Observational_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2021 Type: Article Affiliation country: United States