Our faculty presently consists of two associate professors, Cristian Micheletti (head) and Alessandro Laio (deputy head), one tenure-track scientist, Giovanni Bussi and one co-opted assistant professor, Alessandra Magistrato from CNR who is responsible for the Biophysics research line of the CNR-IOM Democritos Center for Atomistic Simulations in Trieste.


Main research lines in the Molecular and Statistical Biophysics Group are:


(1) Characterising the effect of spatial confinement on the structural, topological and mechanical properties of biopolymers, particularly DNA. (PI: Prof. C. Micheletti)

(2) Elucidating the relationship between structure and function in proteins and enzymes. (PI: Prof. C. Micheletti)

(3) Simulating rare events in biological systems (PI: Prof. A. Laio)

(4) Molecular Mechanisms of Diseases and Drugs (PI: Dr. A. Magistrato)

(5) Enzymatic and biomimetic catalysis (PI: Dr. A. Magistrato) Hide

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Molecular mechanisms of metal containing enzymes: Aromatase cytocrome P450 is an iron containing enzyme of crucial biological and pharmacological relevance as it is the only enzyme in vertebrates to catalyze the biosynthesis of all estrogens from androgens. Aromatase inhibitors are, therefore, of paramount importance in the therapy of estrogen dependent breast cancer. We have recently started to investigate the mechanism of aromatase to understand its unique catalytic properties and the molecular basis for its high androgenic specificity. This information may be of help for developing next generation aromatase inhibitors to be employed in anticancer therapy.


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Biomimetic catalysts. An increase in global energy demand as well as the issues related to the global climate change have made nowadays the search of renewable energy one of challenge of science. As small part of my research activity is focused in the study of inorganic biomimetic catalysts that can generate hydrogen from water with high efficiency. This catalyst would mimic the work performed by hydrogenase enzymes in Nature.


(6) Simulation of small ribonucleic acid (RNA) (PI: Dr. G. Bussi)

(7) PLUMED Development (PI: Dr. G. Bussi)