For more than three decades, Paolo Carloni has been developing and applying multiscale molecular simulation methods (from quantum to coarse-grained) to gain insights on structure/function relashionships of biomolecules and their complexes.
He has contributed to the modeling of metal ions in biological systems, to the understanding of the reaction mechanisms of enzymatic superfamilies (such as proteases), to the molecular mechanisms of drug resistance, to the study of RNA/ligand interactions and, more recently, to the elucidation of the function and signaling cascades of neuroreceptors. In recent years, he has been investigating neurobiological processes using high performance computing and machine learning.
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July 7th - 16:30/17:10 |
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Multiscale simulations of neuronal receptors: from quantum to coarse grain |
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www.fz-juelich.de/inm-9 |