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Conformer Generation for Structure-Based Drug Design: How Many and How Good?
McNutt, Andrew T; Bisiriyu, Fatimah; Song, Sophia; Vyas, Ananya; Hutchison, Geoffrey R; Koes, David Ryan.
Affiliation
  • McNutt AT; Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15213, United States.
  • Bisiriyu F; The Neighborhood Academy, Pittsburgh, Pennsylvania 15206, United States.
  • Song S; Upper St. Clair High School, Pittsburgh, Pennsylvania 15241, United States.
  • Vyas A; Taylor Allderdice High School, Pittsburgh, Pennsylvania 15217, United States.
  • Hutchison GR; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15213, United States.
  • Koes DR; Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15213, United States.
J Chem Inf Model ; 63(21): 6598-6607, 2023 11 13.
Article in En | MEDLINE | ID: mdl-37903507
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Algorithms / Drug Design Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Document type: Article Affiliation country:
Fulltext
Add to My VHL
Print
XML
PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Algorithms / Drug Design Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Document type: Article Affiliation country: