The project "In-silico modeling of antipsychotic drug actions towards a paradigm change in antipsychotic drug discovery" will be funded by Fundació La Marató de TV3

The project was presented by the researchers of GRIB (IMIM - UPF): Jana Selent as PI, Manuel Pastor and Gianni de Fabritiis. The project verses about the mechanism of action of currently used antipsychotic drugs which is still unclear, but it is widely accepted that they interact with multiple G protein-coupled receptors (GPCRs). In order to discover novel pharmacological targets and lead structures, we focus on GPCR dimerization in the context of antipsychotic drug action. The physical phenomena of the receptor dimerization and putative drug targets under physiological conditions will be studied using accelerated molecular dynamics achieving supercomputing scale performance in the microsecond regime.

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