We study biomolecules for modern problems in biology and bio-hybrid nanotechnologies. Our strength is to conjugate the use of traditional simulation tools and the development of innovative approaches dedicated to bio/bio-hybrid molecules.

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Among our specific areas of research are:

– structural flexibility of biomolecules and induced-fit mechanisms
– predictive physical models for bio-hybrid materials and devices

The long term goal of our research is to be able to use computers to run in silico experiments to facilitate the design of therapies and the integration of biomolecules in nanotechnologies. 

To achieve this goal, we use a variety of different "traditional" approaches (both classical and quantum mechanical analysis) and actively work on developing new simulation methods. 

More specifically, our recent simulations now allow the study of:

• bio-hybrid molecules for nanobiotechnologies:

- proteins for the integration of active functions 

- aptamers for new generation of detection devices

• structural and biomechanical properties of enzyme for oncology 

• large scale and long range functional motions of proteins 

Please also visit our page presenting the Static Mode Approach developed in our group.

Contact: Marie Brut (mbrut@laas.fr)