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Solving the Protein Folding Problem with a Bicriterion Genetic Algorithm on the Grid

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4 Author(s)
Tantar, A. ; Lab. d''Informatique Fondamentale de Lille, LIFL/CNRS UMR, Cedex ; Melab, N. ; Talbi, E. ; Toursel, B.

The exploration of potential multidimensional surfaces in protein folding is a non-trivial problem of extreme importance in computational biology. An evolutionary bicriterion grid-enabled protein folding approach is reported, classical molecular mechanics equations being employed for modeling inter-atomic interactions. Afferent computations were distributed on a nation-wide grid - GRID5000. A layered software design composed of dedicated frameworks is adopted due to the highly complex aspects inherent for the underlying volatile and dynamic execution environment. A brief insight on the existing approaches and the mathematical basis describing physical molecular interactions is offered, including derived semi-empirical and purely-empirical models. Introductory multicriterion formalisms enclosing the exposed approach are also presented

Published in:

Cluster Computing and the Grid, 2006. CCGRID 06. Sixth IEEE International Symposium on  (Volume:2 )

Date of Conference:

16-19 May 2006