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

摘要: A central part of the rational drug development process is prediction complex structure a small ligand with protein, so-called protein-ligand docking problem, used in virtual screening large databases and lead optimization. In work presented here, we introduce new algorithm called PLANTS (Protein-Ligand ANTSystem), which based on ant colony An artificial employed to find minimum energy conformation protein’s binding site. We present effectiveness for several parameter settings as well direct comparison state-of-the-art program GOLD, genetic algorithm. Last but not least, results protein target factor Xa are presented.