Assessing search strategies for flexible docking

@article{Vieth1998AssessingSS,
  title={Assessing search strategies for flexible docking},
  author={M. Vieth and J. Hirst and B. Dominy and Heidi Daigler and C. Brooks},
  journal={J. Comput. Chem.},
  year={1998},
  volume={19},
  pages={1623-1631}
}
Ž . ABSTRACT: We assess the efficiency of molecular dynamics MD , Monte Ž . Ž . Carlo MC , and genetic algorithms GA for docking five representative ligand]receptor complexes. All three algorithms employ a modified CHARMM-based energy function. The algorithms are also compared with an established docking algorithm, AutoDock. The receptors are kept rigid while flexibility of ligands is permitted. To test the efficiency of the algorithms, two ̊ ̊ search spaces are used: an 11-A-radius sphere and… Expand
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