A computer-aided drug discovery system for chemistry teaching

Frey, Jeremy G., Gledhill, Robert J., Milsted, Andrew, Kent, Sarah, Essex, Jon W. and Richards, G.W. (2006) A computer-aided drug discovery system for chemistry teaching At American Chemical Society 232 National Meeting. 10 - 14 Sep 2006.


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The e-Malaria Project is designed to teach aspects of chemistry through exposure to drug design concepts. Initially it was a way to bring together school students with university researchers in the hunt for a new antimalaria drug. The design challenge offered is to use a distributed drug search and selection system to design potential antimalaria drugs accessed via an accessible 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 university contacts. The project was implemented using distributed computing techniques. 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. The project is useful in undergraduate teaching where the system was used to support investigations of drug modeling and QSAR approaches.

Item Type: Conference or Workshop Item (Other)
Venue - Dates: American Chemical Society 232 National Meeting, 2006-09-10 - 2006-09-14
Related URLs:
Keywords: malaria, grid, e-science, e-learning

Organisations: FOS - Natural & Environmental Sciences
ePrint ID: 41499
Date :
Date Event
1 January 2006Published
Date Deposited: 20 Sep 2006
Last Modified: 16 Apr 2017 19:01
Further Information:Google Scholar
URI: http://eprints.soton.ac.uk/id/eprint/41499

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