A computer-aided drug discovery system for chemistry teaching
A computer-aided drug discovery system for chemistry teaching
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.
malaria, grid, e-science, e-learning
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Gledhill, Robert J.
de6cab60-d1f3-4f64-978c-3fc464aa277e
Milsted, Andrew
e2dddab8-5475-4db7-bcae-7e7f40992664
Kent, Sarah
6f72274a-1cc2-4ab8-b465-00c2394628ee
Essex, Jon W.
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Richards, G.W.
5bc1fdab-315f-4d0c-80a7-ea2ea79fcbf2
1 January 2006
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Gledhill, Robert J.
de6cab60-d1f3-4f64-978c-3fc464aa277e
Milsted, Andrew
e2dddab8-5475-4db7-bcae-7e7f40992664
Kent, Sarah
6f72274a-1cc2-4ab8-b465-00c2394628ee
Essex, Jon W.
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Richards, G.W.
5bc1fdab-315f-4d0c-80a7-ea2ea79fcbf2
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.
American Chemical Society 232 National Meeting, San Francisco, USA.
10 - 14 Sep 2006.
Record type:
Conference or Workshop Item
(Other)
Abstract
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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eMalaria_ACS_talk.pdf
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Published date: 1 January 2006
Venue - Dates:
American Chemical Society 232 National Meeting, San Francisco, USA, 2006-09-10 - 2006-09-14
Keywords:
malaria, grid, e-science, e-learning
Organisations:
Chemistry, FOS - Natural & Environmental Sciences
Identifiers
Local EPrints ID: 41499
URI: http://eprints.soton.ac.uk/id/eprint/41499
PURE UUID: 1cb82178-6c7a-4b35-8323-1121deccc9e0
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Date deposited: 20 Sep 2006
Last modified: 16 Mar 2024 02:45
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Contributors
Author:
Robert J. Gledhill
Author:
Andrew Milsted
Author:
Sarah Kent
Author:
G.W. Richards
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