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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.

Record type: Conference or Workshop Item (Other)


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.

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Published date: 1 January 2006
Venue - Dates: American Chemical Society 232 National Meeting, 2006-09-10 - 2006-09-14
Keywords: malaria, grid, e-science, e-learning
Organisations: Chemistry, FOS - Natural & Environmental Sciences


Local EPrints ID: 41499
PURE UUID: 1cb82178-6c7a-4b35-8323-1121deccc9e0
ORCID for Jeremy G. Frey: ORCID iD
ORCID for Jon W. Essex: ORCID iD

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Date deposited: 20 Sep 2006
Last modified: 17 Jul 2017 15:30

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Author: Jeremy G. Frey ORCID iD
Author: Robert J. Gledhill
Author: Andrew Milsted
Author: Sarah Kent
Author: Jon W. Essex ORCID iD
Author: G.W. Richards

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