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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. Get Started >>.
CB-Dock: An accurate protein-ligand blind docking tool. How it works. CB-Dock was designed to perform blind docking at predicted sites, instead of the entire surface of a protein. Therefore, the first step is to detect putative binding sites ( Cavity detection ).
Jul 1, 2019 · CB-Dock predicts binding regions of a given protein, calculates the centers and sizes with a curvature-based cavity detection approach, and performs docking with the state-of-the-art docking...
CB-Dock2 is an improved version of the protein-ligand blind docking tool that inherits the curvature-based cavity detection procedure and the AutoDock Vina-based molecular docking procedure in CB-Dock server (see CB-Dock for details).
Jul 1, 2019 · To automatically predict binding modes without information about binding sites, we developed a user-friendly blind docking web server, named CB-Dock, which predicts binding sites of a given protein and calculates the centers and sizes with a novel curvature-based cavity detection approach, and performs docking with a popular docking program, Aut...
Jul 7, 2022 · CB-Dock2 not only inherits the structure-based cavity detection and docking module from CB-Dock, but also integrates a template-based molecular docking method FitDock that we developed and published recently.
Jul 1, 2019 · The docking of macromolecules and ligands was analyzed using CB-Dock online molecular docking (http://cao.labshare.cn/cb-dock) based on the curvaturebased cavity detection approach...
