Molecular dynamics simulations of biological macromolecules aimed at: i) getting insights into their dynamic properties; ii) identifying the conformational/functional effect of point mutations responsible for genetic diseases.
Application of structure- and ligand- based methodologies for the development of models able to predict the bioactivity/toxicity of small molecules. The ultimate aim is that of providing clues for the...
Development, validation and application of machine learning and deep learning algorithms for the automated generation (de-novo design) of bioactive compounds.
Structural and functional characterization of neurotrophins, proneurotrophins and their pathological mutants. Structural studies of the role of endogenous biomolecules as modulators of neurotrophins and proneurotrophins.
Structural characterization of extracellular matrix proteins (amino-terminal domain of alpha dystroglycan, beta dystroglycan and LG1-2 domains of agrin) and their pathological mutants.
Structural and functional characterization of the main mediators of quorum sensing (LuxRs) and of the structural basis of their specificity vs promiscuity towards different autoinducers. Structural studies on the role...
Shwachman-Diamond syndrome is a rare disease that from a molecular point of view belongs to a class of diseases known as ribosomopathies. The two most involved proteins are SBDS and...
The use of Small-angle X-ray scattering (SAXS) as a technique to obtain the structural properties of a full length protein having a potential for guiding homology modeling of multidomain one....
The structural analysis of proteins and protein-ligand complexes aims to understand the molecular mechanisms that make cells non-functional when diseases affect humans and to study new molecules capable of restoring...
The research is mainly focused on the design and synthesis of nucleic acid derivatives, both for the realization of oligonucleotide biomimetic models, in vivo and in vitro studies, and for...
