CB-Dock2: improved protein–ligand blind docking by integrating cavity detection, docking and homologous template fitting

• Published in: Nucleic acids research Vol. 50; no. W1; pp. W159 - W164
• Main Authors: Liu, Yang, Yang, Xiaocong, Gan, Jianhong, Chen, Shuang, Xiao, Zhi-Xiong, Cao, Yang
• Format: Journal Article
• Language: English
• Published: England Oxford University Press 05.07.2022
• Subjects: Algorithms; Binding Sites; GTPase-Activating Proteins - chemistry; Guanine Nucleotide Exchange Factors - chemistry; Ligands; Molecular Docking Simulation; Protein Binding; Proteins - chemistry; Software; Web Server Issue

Abstract Protein-ligand blind docking is a powerful method for exploring the binding sites of receptors and the corresponding binding poses of ligands. It has seen wide applications in pharmaceutical and biological researches. Previously, we proposed a blind docking server, CB-Dock, which has been u...