A Grid Service-Based Virtual Screening System
HwaMin Lee�, D. Park · The Computer Journal · 2013
Virtual screening is the process of reducing an unmanageable number of compounds to a limited number of compounds by means of docking. It is one of the large-scale scientific applications that require large computing power and data storage capability. Grid computing focuses on large-scale resource sharing, innovative applications and high-performance orientation. Thus we propose a service-based virtual screening system using Grid technology that supports a large computed and data-intensive operation. We constructed a three-dimensional chemical database and defined various services for virtual screening using XML and WSDL. And, we implemented a Grid service-based virtual screening system using DOCK 6.0.