Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

@article{Morris1998AutomatedDU,
  title={Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function},
  author={G. Morris and D. Goodsell and R. S. Halliday and R. Huey and W. Hart and R. Belew and A. Olson},
  journal={J. Comput. Chem.},
  year={1998},
  volume={19},
  pages={1639-1662}
}
A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets has been developed and tested, in combination with a new scoring function that estimates the free energy change upon binding. Interestingly, this method applies a Lamarckian model of genetics, in which environmental adaptations of an individual’s phenotype are reverse transcribed into its genotype and become Ž . heritable traits sic . We consider three search methods… Expand
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