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We are interested in understanding structural and dynamical properties of biomolecules, in the context of proteins and biomaterials. For that, we use a variety of tools mainly based on a Quantum Mechanical description.

Spotlight Publication

Supramolecular QM/MM

Carotenoid-Chlorophyll Interactions in a Photosynthetic Antenna Protein: A Supramolecular QM/MM Approach

Matthew J. Guberman-Pfeffer and José A. Gascón
Molecules 2018 23:2589-2600