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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 Undergraduate at the University Autonomous of Barcelona (SPAIN), Major in Chemistry. From here a joined PhD in physycal chemistry at UC Berkeley and University Autonomous, with Professors Josep M. Lluch, Miquel Moreno and William H Miller (November 1999 thesis defense).
Then to NYC for a postdoc (2000-2003) at Columbia University with Richard Friesner.
After NYC, Victor got a teanured position as assistant Professor at Washington University in St. Louis, School of Medicine, Biochemistry & Molecular Biophysics (2003-2006).
In 2006 he was appointed an 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 dynamics (PELE).
Application involve mainly biomedical research aimed towards energy and electronic transfer, improving drug design and towards the atom/detailed understanding of disease mechanisms. For this purpose we use Marenostrum, one of the most powerful supercomputers in Europe.
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KeyWords
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QM/MM, biochemistry, quantum mechanics, computer modeling
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