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Computational Evaluation of HIV-1 gp120 Conformations of Soluble Trimeric gp140 Structures as Targets for de Novo Docking of First- and Second-Generation Small-Molecule CD4 Mimics.

Francesca MoracaKriti AcharyaBruno MelilloAmos B. Smith IIIIrwin ChaikenCameron F. Abrams
Published in: J. Chem. Inf. Model. (2016)
Keyphrases
  • genetic programming
  • evolutionary algorithm
  • fitness function
  • drug discovery
  • covariance function
  • regression problems
  • gaussian process regression
  • small number
  • evaluation method
  • chemical compounds