Seminar

Can computations and experiments understand each other?

Ramón Crehuet, PhD

The 2014 Nobel laureate Martin Karplus advocated for a larger impact of computations on experiments. It is often claimed that the difference in time- and spatial-scale of computations and experiment is responsible for the gap between experimental and computational scientists, but in this talk Dr. Crehuet will argue that there are other difficulties in connecting results from these two areas. He will discuss some of the results of their group in simulating protein dynamics. In particular, this talk will cover ensembles of Intrinsically Disordered Proteins, protein conformational changes and SAXS measures. Dr. Crehuet obtained his PhD in Chemistry from the Universidad de Barcelona and moved to the Institute de Biologie Structurale in Grenoble, to study enzyme catalysis. In 2003 he joined the CSIC as a Ramon y Cajal fellow and since 2008 he is Científico Titular at the Institut de Química Avançada de Catalunya (CSIC). There he uses computational methods to describe protein dynamics, with a special interest in enzyme catalysis and intrinsically disordered proteins.