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Guallar Tasies, Victor
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ICREA Research Professor at CNS - BSC (Centro Nacional de Supercomputación - Barcelona Supercomputing Center). Life & Medical Sciences
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Studied as an undergraduate at the Autonomous University of Barcelona (SPAIN), major in Chemistry. From here a joined PhD in physycal chemistry at UC Berkeley and Autonomous University of Barcelona, with Professors Josep M. Lluch, Miquel Moreno and William H Miller (November 1999 thesis defense).
Then moved NYC for a postdoc (2000-2003) at Columbia University with Prof. Richard Friesner.
After NYC, Victor got a teanured position as an assistant Professor at Washington University in St. Louis, School of Medicine, Biochemistry & Molecular Biophysics (2003-2006).
In 2006 he was appointed ICREA Research Professor in the Life Science Department at the Barcelona Supercomputing Center (BSC).
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Research Interests
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We combine different computational techniques to study the biochemistry and biophysics of proteins. Mainly we look at (1) enzymatic processes and (2) at the atomic detailed mechanism of protein/ligand interactions.
In these two lines we have made important methodological contributions in electron transfer (QM/MM e-pathway) and induced fit protein-ligand dynamics (PELE).
Application involve mainly biomedical research aimed towards energy and electron transfer, in improving drug design and in the atomic detailed understanding of disease mechanisms. For this purpose we use Marenostrum, one of the most powerful supercomputers in Europe.
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Key Words
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QM/MM, biochemistry, quantum mechanics, computer modeling
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