Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening

Abstract Background Protein-ligand docking programs are routinely used in structure-based drug design to find the optimal binding pose of a ligand in the protein’s active site. These programs are also used to identify potential drug candidates by ranking large sets of compounds. As more accurate and...

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Bibliographic Details
Main Authors: Hio Kuan Tai, Siti Azma Jusoh, Shirley W. I. Siu
Format: Article
Language:English
Published: BMC 2018-12-01
Series:Journal of Cheminformatics
Subjects:
Online Access:http://link.springer.com/article/10.1186/s13321-018-0320-9