Molecular
Modelling Software Development Team |
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The Molecular Modelling Software Development
Team consists of faculty and graduate students in
the Faculty of Computer Science and the Department of
Chemistry at the University of New Brunswick who are
doing research in the area of rational drug design.
Our members have interests in such diverse fields as:
Information Systems, Software Engineering, Visual Programming,
Molecular Modelling and Computational Chemistry.
Members of this team normally are working towards undergraduate
and graduate degrees in Computer Science, Chemistry
or Biochemistry, and all research projects are interdisciplinary.
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People
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- Graduate Students:
- Eric Tucker, MCS Candidate
- Alumni:
- Mathieu Castonguay, BSc., currently attending
medical school at Dalhousie University.
- David Norman, BSc., currently pursuing a graduate
degree at UNB.
- Stephen Vaughan, BSc., currently attending medical
school at Memorial University.
- Jamie Gamble, BCS, currently pursuing an economics
degree at Memorial University.
- John T.C. O'Neill, BCS MCS, currently a software
architect in private industry.
- Olivier Spet, MCS, currently a software engineer
in Nice, France.
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Research
Projects
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- We are currently developing a visual programming
tool, Apt
Apprentice, that is designed to aid end-user
programmers learn computer programming with a particular
focus on students taking interdisciplinary studies.
This is an area of growing concern as the number of
end-user programmers is expected to outstrip professionals
26:1 by the year 2010. A proof of concept implementation
has been developed and the research team is currently
working on developing a full-fledged prototype in
order to conduct formal usability studies.
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Papers,
Presentations, Posters and other Publications
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- Andrews, C., Cooper, R., Visual algorithm development
for chemistry. Pacifichem Symposium on Visualization
in Chemistry for the Major and the Non-Science, Waikiki,
HO, December 15-22, 2005.
- Andrews, C., Cooper R., A student programming
tool. Proceedings of the 29th APICS conference,
Acadia, NS, 2005
- Andrews, C., Cooper, R., Algorithmic Development
In Apt Apprentice. Gordon Research Conference:
"Visualization in Science & Education",
Queen's College, EN, July 3-8, 2005 (Accepted but
not presented)
- Cooper, R., Andrews, C., Chemistry/Computer Science
Interdisciplinary Studies. Information Technology
Center Research Exposition, July 2005.
- Andrews, C., Cooper, R., Deslongchamps, G., Spet,
O., The Visualization of Linear Algebra Algorithms
In Apt Apprentice. Proceedings of ICCS 2005 ,
V.S. Sunderam et al. (Eds.), LNCS , Vol 3514, pp.
1011-1018, Springer-Verlag, Berlin, 2005.
- Spet, O., Development of an Object-Oriented Vector
Machine. MCS Thesis, Univeristy of New Brunswick,
April 2005
- Andrews C., Cooper R., Anderson T., Spet O., QSAR
Model Building in the Elucidation of Structural Requirements
for Thrombin Inhibitors. Information Technology
Center Research Exposition, Fredericton, June 2004
- Andrews, C.G., Cooper, R.H., Implementing Complex
Modules in MOE. Chemical Modeling UGM, Montreal
Que., May 2004
- Andrews, C., SVL as a Software Development Environment
in QSAR Studies. MCS Thesis, University of New
Brunswick, May 2003
- O'Neill, John, T.C., Building modules in the
molecular operating environment with SVL. MCS
Thesis, University of New Brunswick, May 2003
- Andrews C., Deschenes A., Cooper R. and Deslongchamps
G., Biocomputing in Drug Design: Bridging the Disciplinary
Gap with Web-Based Interactive Multimedia Courseware.
Gordon Research Conference: "Computational Chemistry",
Colby College, NH, June30-July 5, 2002
- Andrews C., Deschenes A., Cooper R., and Deslongchamps
G., Biocomputing in Drug Design: Visualization
of cross-disciplinary topics with web-based Flash
multimedia courseware. Abstract, 85th CSC Conference,
Vancouver, BC, June 1-5, 2002
- Andrews, C., Castonguay, M., Deschenes, A., Norman,
D., Deslongchamps, G. and Cooper, R., "Biocomputing
in Drug Design": Bridging the Disciplinary Gap with
MOE and Web-Based Interactive Multimedia Courseware.
Cambridge Healthtech Institute's Second Annual Conference
On Structure-Based Drug Design, April 2002
- Andrews, C., Cooper, R., Deslongchamps, G. and
O'Neill, C., Software Design Strategies For Computer-Assisted
Drug Design In MOE. Cambridge Healthtech Institute's
Second Annual Conference On Structure-Based Drug Design,
April 2002
- Deslongchamps,G., Cooper, R., Biocomputing in
Drug Design I: Bridging two disciplines with MOE,
Flash and Maple. Gordon Research Conference: "Science
Education and Visualization: International", Mt-Holyoke
College, MA, Aug 5-10, 2001
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Contact
Us
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Faculty of Computer Science University of New Brunswick
P.O. Box 4400
Fredericton, NB Canada
E3B 5A3
Office: ITB217
Phone:(506) 458-7721
E-mail: c.andrews@unb.ca
or cooper@unb.ca
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Support
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Research and Software Support From:
Partial Student Support Provided By:
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Last updated
January 16, 2006
by C Andrews |
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