Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking.

ABSTRACT:

Background

Protein-ligand docking has emerged as a particularly important tool in drug design and development, and flexible ligand docking is a widely used method for docking simulations. Many docking software packages can simulate flexible ligand docking, and among them, Autodock is widely used. Focusing on the search algorithm used in Autodock, many new optimization approaches have been proposed over the last few decades. However, despite the large number of alternatives, we are still lacking a search method with high robustness and high performance.

Results

In this paper, in conjunction with the popular Autodock software, a novel hybrid version of the random drift particle swarm optimization (RDPSO) algorithm, called diversity-guided Lamarckian RDPSO (DGLRDPSO), is propos

SUBMITTER: Li C 

PROVIDER: S-EPMC7336682 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature