Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints

  title={Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints},
  author={Michal Brylinski and Jeffrey Skolnick},
  journal={Journal of computational chemistry},
  volume={29 10},
The rapidly growing number of theoretically predicted protein structures requires robust methods that can utilize low-quality receptor structures as targets for ligand docking. Typically, docking accuracy falls off dramatically when apo or modeled receptors are used in docking experiments. Low-resolution ligand docking techniques have been developed to deal with structural inaccuracies in predicted receptor models. In this spirit, we describe the development and optimization of a knowledge… CONTINUE READING
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MINUIT, Reference Manual, Version 94.1

  • F. James
  • CERN: Geneva, Switzerland,
  • 1998

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