High-performance virtual screening in a BOINC-based Enterprise Desktop Grid

In the paper we present the experience of developing and using an Enterprise Desktop Grid infrastructure based on BOINC software platform and designed for virtual screening usingopen-source software and open databases of chemical compounds models. According to the ideaof Enterprise Desktop Grid, a virtual single computational network integrates non-specializedcomputers within an organization or group of users that are directly interested in solving an applied problem. We describe and evaluate the performance of the infrastructure created withing ajoint research project between the Lübeck Institute of Experimental Dermatology (former Clinic ofdermatology, allergology and venerology) of the University of Lübeck and the Institute of Applied Mathematical Research of the Karelian Research Centre of the Russian Academy of Sciences. We summarize the project and briefly overview the results of the virtual screening.