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Structure- and Ligand-Based Virtual Screening on DUD-E+: Performance Dependence on Approximations to the Binding Pocket.

Ann E. ClevesAjay N. Jain
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • high throughput
  • binding sites
  • data analysis
  • network structure