title: CovalentDock Cloud: a web server for automated covalent docking.
abstract: Covalent binding is an important mechanism for many drugs to gain its function. We developed a computational algorithm to model this chemical event and extended it to a web server, the CovalentDock Cloud, to make it accessible directly online without any local installation and configuration. It provides a simple yet user-friendly web interface to perform covalent docking experiments and analysis online. The web server accepts the structures of both the ligand and the receptor uploaded by the user or retrieved from online databases with valid access id. It identifies the potential covalent binding patterns, carries out the covalent docking experiments and provides visualization of the result for user analysis. This web server is free and open to all users at http://docking.sce.ntu.edu.sg/.
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, China.
authors.forename: Xuchang
authors.initials: X
authors.lastname: Ouyang
authors.forename: Shuo
authors.initials: S
authors.lastname: Zhou
authors.forename: Zemei
authors.initials: Z
authors.lastname: Ge
authors.forename: Runtao
authors.initials: R
authors.lastname: Li
authors.forename: Chee Keong
authors.initials: CK
authors.lastname: Kwoh
mesh_terms: D015195:Drug Design; D020407:Internet; D008024:Ligands; D062105:Molecular Docking Simulation / Q000379:methods*; D012984:Software
chemical_list: D008024:Ligands