CB-Dock2 is an improved version of the CB-Dock server for protein-ligand blind docking, integrating cavity detection, docking and homologous template fitting.
Given the three-dimensional (3D) structure of a protein and a ligand, we can predict their binding sites and affinity for computer-aided drug discovery.
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Features
CB-Dock2 combines multiple features to facilitate molecular docking.
Search Cavity
Detecting cavities on proteins based on clustering of solvent-accessible surface.
Structure-based Docking
Molecular docking at the detected candidate pockets with AutoDock Vina.
Template-based Docking
Molecular docking based on the pattern of homologous templates.
Provide Powerful Solutions
A diverse community of developers and researchers are using CB-Dock2 to solve biological problems.
Target Discovery
CB-Dock2 can contribute to the characterization of newly determined protein structures and suggest novel therapeutic targets for biological and pharmaceutical studies.
Drug Discovery
CB-Dock2 can be used for virtual screening, which allows ranking databases of drugs according to the binding affinities of ligands to a given target.
Drug Design
CB-Dock2 help predict the interactions occurring between molecules and biological targets to help understand how they interact.
Please Cite:
Yang Liu, et al . CB-Dock2: improved protein-ligand blind docking by integrating cavity detection, docking and homologous template fitting. Nucleic Acids Research, 2022.
Xiaocong Yang, et al . FitDock: protein-ligand docking by template fitting. Briefings In Bioinformatics, 2022.