English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

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.

High throughput virtual screening with data level parallelism in multi-core processors