WISDOM-II: screening against multiple targets implicated in malaria using computational grid infrastructures.

ABSTRACT:

Background

Despite continuous efforts of the international community to reduce the impact of malaria on developing countries, no significant progress has been made in the recent years and the discovery of new drugs is more than ever needed. Out of the many proteins involved in the metabolic activities of the Plasmodium parasite, some are promising targets to carry out rational drug discovery.

Motivation

Recent years have witnessed the emergence of grids, which are highly distributed computing infrastructures particularly well fitted for embarrassingly parallel computations like docking. In 2005, a first attempt at using grids for large-scale virtual screening focused on plasmepsins and ended up in the identification of previously unknown scaffolds, which were confirmed in vi

SUBMITTER: Kasam V 

PROVIDER: S-EPMC2691744 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature