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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. It can be used for target discovery, drug discovery and drug design for computer-aided drug discovery.
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CB-Dock is a web-based tool that performs blind docking at predicted binding sites of a protein. It uses AutoDock Vina to calculate the docking score and rerank the bound poses of the ligand.
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.
- 10.1093/nar/gkac394
- 2022/07/07
Structure-based cavity detection (Submitted Protein: MDM2.pdb) Tips: Click the table below to view the pocket information. Click the residue in the sequence list to view the residue you are interested in. Your browser/graphics card does not seem to support WebGL. Find out how to get it here.
Jul 5, 2022 · Here, we substantially improved the docking method by combining CB-Dock with our template-based docking engine to enhance the accuracy in binding site identification and binding pose prediction. In the benchmark tests, it yielded the success rate of ∼85% for binding pose prediction (RMSD < 2.0 Å), which outperformed original CB-Dock and most ...
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CB-Dock is a protein–ligand blind docking server de-veloped by our lab (13). It employed our protein-surface-curvature-based cavity detection approach (CurPocket) (13,14) to guide the...
