An Efficient ABC_DE_Based Hybrid Algorithm for Protein-Ligand Docking.

ABSTRACT: Protein–ligand docking is a process of searching for the optimal binding conformation between the receptor and the ligand. Automated docking plays an important role in drug design, and an efficient search algorithm is needed to tackle the docking problem. To tackle the protein–ligand docking problem more efficiently, An ABC_DE_based hybrid algorithm (ADHDOCK), integrating artificial bee colony (ABC) algorithm and differential evolution (DE) algorithm, is proposed in the article. ADHDOCK applies an adaptive population partition (APP) mechanism to reasonably allocate the computational resources of the population in each iteration process, which helps the novel method make better use of the advantages of ABC and DE. The experiment tested fifty protein–ligand docking problems

SUBMITTER: Guan B 

PROVIDER: S-EPMC5979554 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature