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Pattern-free generation and quantum mechanical scoring of ring-chain tautomers.
Levine, Daniel S; Watson, Mark A; Jacobson, Leif D; Dickerson, Claire E; Yu, Haoyu S; Bochevarov, Art D.
Affiliation
  • Levine DS; Schrödinger, Inc., 120 West 45th St, New York, NY, 10036, USA.
  • Watson MA; Schrödinger, Inc., 120 West 45th St, New York, NY, 10036, USA.
  • Jacobson LD; Schrödinger, Inc., 120 West 45th St, New York, NY, 10036, USA.
  • Dickerson CE; Schrödinger, Inc., Suite 1300, 101 SW Main Street, Portland, OR, 97204, USA.
  • Yu HS; Schrödinger, Inc., 120 West 45th St, New York, NY, 10036, USA.
  • Bochevarov AD; College of Chemistry & Biochemistry, University of California, Los Angeles, CA, 90095, USA.
J Comput Aided Mol Des ; 35(4): 417-431, 2021 04.
Article in En | MEDLINE | ID: mdl-32830300
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Full text: 1 Database: MEDLINE Main subject: Quantum Theory / Pharmaceutical Preparations / Small Molecule Libraries Type of study: Prognostic_studies Language: En Journal: J Comput Aided Mol Des Journal subject: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Year: 2021 Type: Article Affiliation country: United States
Fulltext
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Full text: 1 Database: MEDLINE Main subject: Quantum Theory / Pharmaceutical Preparations / Small Molecule Libraries Type of study: Prognostic_studies Language: En Journal: J Comput Aided Mol Des Journal subject: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Year: 2021 Type: Article Affiliation country: United States