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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

QM versus MM

Connectivity-Based Biocompatible Force Field for Thiolated Gold Nanoclusters

Matthew J. Guberman-Pfeffer, James Ulcickas, and José A. Gascón
J. Phys. Chem. C 2015 119:27804–27812