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Institute for Advanced Simulation (IAS)

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Molecular Events in Neuronal Function and Dysfunction

Neuronal function (and dysfunction) depend on exquisite molecular recognition processes during which specific biomolecules bind to each other allowing neuronal signaling. The detailed understanding of these processes, as well as the response to ligand-based treatment, require the characterization of structure, function, dynamics, and energetics of biomolecules, such as GPCRs and RNA, in an environment as close as possible to that of neurons (see e.g. here). In this context, we also carry on a ligand development program in coordination with several experimental groups within INM, FZJ and beyond. In silico pharmacology, molecular simulations, free energy calculations and bioinformatics are here exploited to rational design of molecules for technology advances in brain imaging, neuronal disease genetics and neuropharmacology.

Drug Design PipelineDrug Design Pipeline: early steps


Here below you can find the links to specific areas of interest in the lab:


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