Laboratoire de Biochimie Théorique - LBT

Research at the Laboratoire de Biochimie Théorique (denoted LBT) concerns simulations of biological macromolecules, by developing and applying molecular modelling algorithms.

A close link with computer science is central to this approach. LBT is an important user of the French national supercomputing centers and familiar with high performance computing and parallelized codes on PC clusters or supercomputers. LBT has a strong publication activity and takes part in national and European projects.


The team led by Marc Baaden has experience, recognised around the world, in studying membrane proteins such as the nicotinic receptor homologue GLIC, using advanced modelling methods [BOC09, NUR10, NUR11]. This is exemplified by the original molecular modelling methods developed at LBT, combining interactive simulations and visual analysis with the use of virtual reality approaches [FER08a, FER08b, DEL09]. A longstanding collaboration with Prof. MSP Sansom's group at Oxford university regularly provides grand challenge applications where our developments can be tested. These areas of expertise represent a strong synergy in the context of the ExaViz project.

With regard to this project, LBT has previously established successful and fruitful collaborations with the LIFO and MOAIS partners, providing leading-edge expertise in a multitude of computational approaches particularly suitable for the study of membrane proteins, integrating extreme computing applications with virtual reality approaches. In achieving this, the group has developed a number of tools (BioSpagetthi, BioSpring [SAL10], MDDriver [DEL09], MyPal [DEL10], etc.) and analysis components which are not at present available elsewhere. It should also be noted that a recently established link with the VISUS Institute, and in particular with the group led by Prof. T Ertl, will be extremely beneficial to this project.

The unit was assessed by CNRS in 2008 and was awarded the A+ maximum score.


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