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

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...

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Vydáno v:	Nucleic acids research Ročník 50; číslo W1; s. W159 - W164
Hlavní autoři:	Liu, Yang, Yang, Xiaocong, Gan, Jianhong, Chen, Shuang, Xiao, Zhi-Xiong, Cao, Yang
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	England Oxford University Press 05.07.2022
Témata:	Algorithms Binding Sites GTPase-Activating Proteins - chemistry Guanine Nucleotide Exchange Factors - chemistry Ligands Molecular Docking Simulation Protein Binding Proteins - chemistry Software Web Server Issue
ISSN:	0305-1048, 1362-4962, 1362-4962
On-line přístup:	Získat plný text
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