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Simulations numériques de systèmes biologiques complexes : dynamique, structure et fonction de transporteurs, canaux et enzymes

Abstract : The main motivation of my research is to combine experimental and theoretical approaches in the field of physical chemistry in order to achieve a better understanding of phenomena at the atomic scale. My current work concerns systems of biological interest related to membrane processes and phenomena accessible by nanomanipulation methods. Fundamental biophysical and biochemical questions are at the heart of my research. I carried out complex simulations of membrane proteins in a lipid bilayer that have proven very complementary and insightful with respect to experimental studies in structural biology. A recent collaboration based on this complementarity has lead to a publication in Nature in early 2009. [[i]] My recent work also focuses on the development of approaches combining virtual reality and molecular simulations. [[ii]] The biological systems studied present a physico-chemical, biological and medical interest and can comprise a large number of atoms. In parallel, I lead very fundamental work on simulation methods and novel approaches. ----------------------- [[i]] N. Bocquet, H. Nury, M. Baaden, C. Le Poupon, J.P. Changeux, M. Delarue et P.J. Corringer: "X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation", 2009, Nature, 457, 111-114. [[ii]] O. Delalande, N. Férey, G. Grasseau et M. Baaden : "Complex Molecular Assemblies at hand via Interactive Simulations", 2009, J. Comput. Chem., 30, 2009, 2375-2387.
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Submitted on : Thursday, December 2, 2010 - 11:26:18 PM
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Marc Baaden. Simulations numériques de systèmes biologiques complexes : dynamique, structure et fonction de transporteurs, canaux et enzymes. Sciences pharmaceutiques. Université Paris-Diderot - Paris VII, 2010. ⟨tel-00541521⟩

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