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Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of Fitted 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors.

Christopher R. CorbeilPablo EnglebienneConstantin G. YannopoulosLaval ChanSanjoy K. DasDarius BilimoriaLucille L'HeureuxNicolas Moitessier
Published in: J. Chem. Inf. Model. (2008)
Keyphrases
  • virtual screening
  • drug discovery
  • software engineering
  • chemical compounds
  • databases
  • data mining
  • bayesian networks
  • graphical models
  • scoring function
  • similarity searching