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Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure-Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis.

Falgun ShahJiri GutJennifer LegacDevleena ShivakumarWoody ShermanPhilip J. RosenthalMitchell A. Avery
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • computer aided
  • drug design
  • image analysis
  • drug discovery
  • statistical analysis
  • databases
  • pattern recognition
  • data analysis
  • virtual screening
  • quantitative structure activity