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Deep neural network affinity model for BACE inhibitors in D3R Grand Challenge 4.
Wang, Bo; Ng, Ho-Leung.
Affiliation
  • Wang B; Biochemistry & Molecular Biophysics, Kansas State University, 141 Chalmers Hall, 1711 Claflin Rd., Manhattan, KS, 66506, USA.
  • Ng HL; Biochemistry & Molecular Biophysics, Kansas State University, 141 Chalmers Hall, 1711 Claflin Rd., Manhattan, KS, 66506, USA. hng@ksu.edu.
J Comput Aided Mol Des ; 34(2): 201-217, 2020 02.
Article in En | MEDLINE | ID: mdl-31916049
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Design / Aspartic Acid Endopeptidases / Neural Networks, Computer / Macrocyclic Compounds / Enzyme Inhibitors / Amyloid Precursor Protein Secretases / Molecular Docking Simulation Type of study: Prognostic_studies Limits: Humans Language: En Journal: J Comput Aided Mol Des Journal subject: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Year: 2020 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Design / Aspartic Acid Endopeptidases / Neural Networks, Computer / Macrocyclic Compounds / Enzyme Inhibitors / Amyloid Precursor Protein Secretases / Molecular Docking Simulation Type of study: Prognostic_studies Limits: Humans Language: En Journal: J Comput Aided Mol Des Journal subject: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Year: 2020 Document type: Article Affiliation country: Country of publication: