PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design

@inproceedings{Korb2006PLANTSAO,
  title={PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design},
  author={Oliver Korb and Thomas St{\"u}tzle and Thomas E. Exner},
  booktitle={ANTS Workshop},
  year={2006}
}
A central part of the rational drug development process is the prediction of the complex structure of a small ligand with a protein, the so-called protein-ligand docking problem, used in virtual screening of large databases and lead optimization. In the work presented here, we introduce a new docking algorithm called PLANTS (Protein-Ligand ANT System) which is based on ant colony optimization (ACO) [1]. An artificial ant colony is employed to find a minimum energy conformation of the ligand in… CONTINUE READING
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