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Sixth IEEE International Symposium on Cluster Computing and the Grid Workshops (CCGRIDW'06)
Solving the Protein Folding Problem with a Bicriterion Genetic Algorithm on the Grid
Singapore
May 16-May 19
ISBN: 0-7695-2585-7
Alexandru-Adrian Tantar, LIFL/CNRS, France
Nouredine Melab, LIFL/CNRS, France
El-Ghazali Talbi, LIFL/CNRS, France
Bernard Toursel, LIFL/CNRS, France
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 - GRID50001. 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.
Citation:
Alexandru-Adrian Tantar, Nouredine Melab, El-Ghazali Talbi, Bernard Toursel, "Solving the Protein Folding Problem with a Bicriterion Genetic Algorithm on the Grid," ccgrid, vol. 2, pp.43, Sixth IEEE International Symposium on Cluster Computing and the Grid Workshops (CCGRIDW'06), 2006
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