Cluster Computing and the Grid, IEEE International Symposium on (2006)
May 16, 2006 to May 19, 2006
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.
N. Melab, E. Talbi, B. Toursel and A. Tantar, "Solving the Protein Folding Problem with a Bicriterion Genetic Algorithm on the Grid," Cluster Computing and the Grid, IEEE International Symposium on(CCGRID), Singapore, 2006, pp. 43.