Search results
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 ).
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 >>.
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...
Upload Protein. Select a protein file (pdb format) [Example: MDM2.pdb (PDB: 4HG7)] Choose or drop a protein file here.
Jul 1, 2019 · Article. Introduction. Protein–ligand docking has been widely used to predict binding modes and affinities of ligands. Protein–ligand docking is a powerful tool for computer-aided drug discovery...
CB-Dock CYSCORE FitDock LigMate DrugRep. AbRSA Abalign. DRSP SRSD DrugDevCovid19. PDB Tools KDEClassifier. Chemistry Databases BindingDB ChEMBL DrugBank PubChem ZINC. Protein Structure Databases ... Dock; Example; Manual; Contact; Cavity detection . 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.
Jul 7, 2022 · 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.
Jul 5, 2022 · 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.
new blind docking tool, named CB-Dock, which focuses on enhancing the docking accuracy. CB-Dock predicts binding regions of a given protein, calculates the centers and sizes with
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 ...
