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Algorithmes d'optimisation et d'analyse des problèmes multidimensionnels, non linéaires, en Biologie et Biophysique

Abstract : The complexity of Life is present at every level of its study: from individual molecular interactions to "interaction networks", enabling the cell to achieve its functions and to elaborate responses to external stimuli. During this thesis, tools derived from Control and Computer Sciences were used to address questions originated from Biology and Biochemistry.
Two aspects were considered: firstly the atomic description of intermolecular interactions, allowing predictions of the docking poses and the affinities between the actors. However, since these estimations depend on the flexibility of these actors, the problem of the prediction of molecular conformations, characterized by multimodal and high dimensional aspects - still a major challenge - was first addressed. Therefore, we have developped a set of heuristics around a core genetic algorithm. The operational parameters and the hybridizing strategies are under control of an algorithmic meta-layer enabling the optimization of the search. Moreover, innovative strategies for parallel deployment of the algorithms have been validated in order to reduce computing times. Finally, while undertaking the study of multiple molecules conformations, we have developed fast screening algorithms based on topological indexes.
The second aspect studied here was a formal modeling of some interaction sub-networks at the scale of the concentrations of the molecules. In particular, we have shown how molecular interaction modes can alter the overall dynamic of the system.
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Submitted on : Thursday, December 13, 2007 - 2:19:59 PM
Last modification on : Tuesday, October 19, 2021 - 11:33:22 AM
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  • HAL Id : tel-00196740, version 1



Benjamin Parent. Algorithmes d'optimisation et d'analyse des problèmes multidimensionnels, non linéaires, en Biologie et Biophysique. Biochimie [q-bio.BM]. Ecole Centrale de Lille, 2007. Français. ⟨tel-00196740⟩



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