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What are the key molecular mechanisms in biological systems? Simulations involving thousands of atoms can be applied to model biomaterials and molecular mechanisms in biologically relevant molecules. Theoretical approach and the implementation of quantum chemistry and mechanical chemistry is useful to investigate the structure and reactivity of proteins and enzymes, to design new drugs, to describe processes in cellular membranes, enzymatic reactions in crowded media and soft nanoparticles in solution.

Computational Photobiology Lab (Carles Curutchet)
Computational Biology & Drug Design (F. Javier Luque)
Biophysical Chemistry of Macromolecules and Colloids (Francesc Mas)
Conceptual and Computational Chemistry (Jordi Poater)
Self-Organized Complexity & Self-Assembling Materials (Ramon Reigada)
Quantum Simulation of Biological Processes (Carme Rovira)
Modeling of Biological Systems and Drug Design (Jaime Rubio)

Highlight Publications

M. Corbella, L. Cupellini, F. Lipparini, G. D. Scholes, C. Curutchet.
ChemPhotoChem(2019) 945.

W. J. Zamora, J. M. Campanera, F. J. Luque
J. Phys. Chem. Letters.10 (2019) 883.

S. Savino, A. J. E. Borg, A. Dennig, M. Pfeiffer, F. de Giorgi, H. Weber, K. D. Dubey, C. Rovira, A. Mattevi, B. Nidetzky.
Nat. Catal.(2019) 1115.

P. M. Blanco, S. Madurga, F. Mas, J. L. Garcés.
Macromolecules 52 (2019) 8017-8031.

J. M. Granadino-Roldán, A. S. J. S. Mey, J. J. Pérez González, S. Bosisio, J. Rubio- Martinez, J. Michel.
PLoS ONE 14 (2019) e0213217.