Marco De Vivo, PhD


Dr. De Vivo is Director of the Molecular Modeling and Drug Discovery laboratory at the Italian Institute of Technology (IIT).  He joined IIT in May 2009, after more than five years in the USA as a researcher in both academia (UPenn) and biotech industry (Rib-X Pharmaceuticals). At IIT, his lab develops and applies computational methods to achieve an atomic-level comprehension of molecular recognition processes and catalysis in pharmaceutically relevant chemical systems (e.g. metalloenzymes that process RNA and DNA). Then, this information is used to design potent inhibitors, and nanoparticles with programmed abilities, as a promising starting point for drug discovery programs. Toward this end, the lab integrates computational and medicinal chemistry to design, synthesize and test novel compounds. Results are fully integrated with structural, biochemical and pharmacological data to characterize function and inhibition of targeted enzymes, and perform structure-based drug design of new molecular entities potentially endowed with the desired pharmacological action. His research activity is partially supported by the Italian Association for Cancer Research (AIRC). In 2017, he received the ACS COMP Outstanding Junior Faculty Award.


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