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Fast force field-based optimization of protein-ligand complexes with graphics processor.

Lennart HeinzerlingRobert KleinMatthias Rarey
Published in: J. Comput. Chem. (2012)
Keyphrases
  • force field
  • graphics processors
  • protein sequences
  • active contours
  • active contour model
  • drug discovery
  • protein complexes
  • gpu implementation
  • virtual screening
  • deformable models