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Comparison of thermodynamic integration and Bennett's acceptance ratio for calculating relative protein-ligand binding free energies.

Anita de RuiterStefan BoreschChris Oostenbrink
Published in: J. Comput. Chem. (2013)
Keyphrases
  • drug design
  • virtual screening
  • higher order
  • drug discovery
  • dna binding
  • data integration
  • search algorithm
  • graph cuts
  • active contours
  • protein structure
  • amino acids
  • sequence analysis
  • amino acid sequences