mio1.jpg The multiscale laboratory is focused in the range of physical phenomena produced by the interplay of different scales, for instance between single molecules and collection of them (mesoscale). Multiscalelab is hosted at the Barcelona Biomedical Research Park (PRBB).

We study macromolecule dynamics and energetics using mainly accelerated processors (Graphics processing units (GPUs) http://www.gpugrid.net) and the accelerated molecular dynamics program ACEMD. The simulation of proteins can directly increase our knowledge on the molecular mechanisms of a biological activity and help experimental scientists to understand an experiment from a molecular, more fundamental point of view.

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* Material for the Molecular Simulation course given as part of the UPF Masters in Bioinformatics for Health Sciences

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