The development of integrated computing platform to improve user satisfaction and cost efficiency of in silico drug discovery activities

The research on drug discovery has a long history. The research quality can be improved by using information technology as it can be used to model many aspects inside the process. Molecular dynamics is the first stage of the drug discovery process that models the finding of best conformation protein structure. The chosen structure is then used as a receptor for several datasets of ligand in virtual screening process. The main goal of this paper is developing an integrated computing platform for drug discovery research using "as a service" paradigm. Here, the cloud applications is used as a bridge between drug discovery tools that running on transparent multiplatform clients. This paper reports the results of the first from three phases of the research -the development of the computing platform interfaces and the analysis of several computing resources including the commercial cloud that will be used by the system.