  Improving the throughput of molecular docking, a computationally intensive
phase of the virtual screening process, is a highly sought area of research
since it has a significant weight in the drug designing process. With such
improvements, the world might find cures for incurable diseases like HIV
disease and Cancer sooner. Our approach presented in this paper is to utilize a
multi-core environment to introduce Data Level Parallelism (DLP) to the
Autodock Vina software, which is a widely used for molecular docking software.
Autodock Vina already exploits Instruction Level Parallelism (ILP) in
multi-core environments and therefore optimized for such environments. However,
with the results we have obtained, it can be clearly seen that our approach has
enhanced the throughput of the already optimized software by more than six
times. This will dramatically reduce the time consumed for the lead
identification phase in drug designing along with the shift in the processor
technology from multi-core to many-core of the current era. Therefore, we
believe that the contribution of this project will effectively make it possible
to expand the number of small molecules docked against a drug target and
improving the chances to design drugs for incurable diseases.
