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Research > Technical Facilities > Numerical simulation and modeling, Radiation

Quantum chemistry

CMR Technical Platform

Manager:
RAMSEYER Christophe
Office: +315K - Phone: +33 3 81 66 64 82
Mail: RAMSEYER Christophe

Location
La Bouloie - Propédeutique building - Building wing K - Floor +4 (40xK)

Brief summary of the activity
Molecular modeling applied to chemistry and biophysics to study chemical reactivity in biological media such as drug / cell interaction, catalysis or enzymology and thin molecular film deposition on surface.

The analyzes or preparations

  • Organization of active compounds within a membrane
  • Conformation of a protein in a cellular environment
  • Characterization and validation in high resolution Raman spectroscopy

List of devices

  • Time-resolved Raman spectrometer
  • UV / Vis spectrometer
  • Means of calculation in quantum chemistry and visualization (Gaussian, Gromacs, NAMD, Pteros)

Access conditions:

Contact:
RAMSEYER Christophe

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