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Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3 - Binding free energies between flexible ligands and rigid receptors.

Bing XieDavid D. L. Minh
Published in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
  • grand challenge
  • autonomous driving
  • outer sheath
  • higher order
  • graph cuts
  • grid computing
  • drug design
  • material handling
  • pairwise
  • markov random field
  • vision system
  • energy function