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Quantum.Ligand.Dock: protein-ligand docking with quantum entanglement refinement on a GPU system.

Alexander A. Kantardjiev
Published in: Nucleic Acids Res. (2012)
Keyphrases
  • quantum computing
  • ligand docking
  • quantum mechanics
  • quantum inspired
  • quantum computation
  • drug design
  • general purpose
  • high throughput
  • protein structure
  • logic circuits
  • channel capacity
  • complex networks