ParallelVSR

ParallelVSR is a cheminformatics pipeline for parallel Virtual Screening (VS) on R platform. With the added advantage of simplicity in using this pipeline, ParallelVSR is designed to meet the challenge of speed in VS. We have integrated Ligand Based Virtual Screening (LBVS) technique which uses ChemmineR - a reliable cheminformatics package on R platform and Structure Based Virtual Screening (SBVS) technique which uses AutoDock Vina - freely available and widely used protein-ligand docking tool. This pipeline has R scripts to perform VS automatically in step-wise manner. To increase the efficiency of VS, we have used data level parallel processing approach using task-pull methodology of Master-Slave communication protocol.