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J Chem Inf Model. 2006 May-Jun;46(3):960-70.

A computer-aided drug discovery system for chemistry teaching.

Author information

1
School of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom.

Abstract

The Schools Malaria Project (http://emalaria.soton.ac.uk/) brings together school students with university researchers in the hunt for a new antimalaria drug. The design challenge being offered to students is to use a distributed drug search and selection system to design potential antimalaria drugs. The system is accessed via a Web interface. This e-science project displays the results of the trials in an accessible manner, giving students an opportunity for discussion and debate both with peers and with the university contacts. The project has been implemented by using distributed computing techniques, spreading computer load over a network of machines that cross institutional boundaries, forming a grid. This provides access to greater computing power and allows a much more complex and detailed formulation of the drug design problem to be tackled for research, teaching, and learning.

PMID:
16711714
DOI:
10.1021/ci050383q
[Indexed for MEDLINE]

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