GPU accelerated molecular docking with parallel genetic algorithm

• Main Authors: Ouyang, Xuchang, Kwoh, Chee Keong
• Other Authors: School of Computer Engineering
• Format: Conference or Workshop Item
• Language: English
• Published: 2013
• Subjects: DRNTU::Engineering::Computer science and engineering
• Online Access: https://hdl.handle.net/10356/98174; http://hdl.handle.net/10220/12426
• Institution: Nanyang Technological University

Molecular docking is a widely used tool in Computer-aided Drug Design and Discovery. Due to the complexity of simulating the chemical events when two molecules interact, highly accelerated molecular docking programs are of great interest and importance for practical use. In this paper, we present a...