Parallel multi-swarm cooperative particle swarm optimization for protein-ligand docking and virtual screening.

ABSTRACT:

Background

A high-quality docking method tends to yield multifold gains with half pains for the new drug development. Over the past few decades, great efforts have been made for the development of novel docking programs with great efficiency and intriguing accuracy. AutoDock Vina (Vina) is one of these achievements with improved speed and accuracy compared to AutoDock4. Since it was proposed, some of its variants, such as PSOVina and GWOVina, have also been developed. However, for all these docking programs, there is still large room for performance improvement.

Results

In this work, we propose a parallel multi-swarm cooperative particle swarm model, in which one master swarm and several slave swarms mutually cooperate and co-evolve. Our experiments show that multi-swarm pro

SUBMITTER: Li C 

PROVIDER: S-EPMC9150318 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature