CovalentDock Cloud: a web server for automated covalent docking
نویسندگان
چکیده
منابع مشابه
CovalentDock Cloud: a web server for automated covalent docking
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 analysi...
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Covalent linkage formation is a very important mechanism for many covalent drugs to work. However, partly due to the limitations of proper computational tools for covalent docking, most covalent drugs are not discovered systematically. In this article, we present a new covalent docking package, the CovalentDock, built on the top of the source code of Autodock. We developed an empirical model of...
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ژورنال
عنوان ژورنال: Nucleic Acids Research
سال: 2013
ISSN: 1362-4962,0305-1048
DOI: 10.1093/nar/gkt406