Molecular Modeling Lab


Alessio Atzori.
M.Sc. in Pharmaceutical Chemistry and Technologies at the University of Cagliari, Ph.D. in molecular modeling at the University of Manchester. Expertise in molecular mechanics methods applied to the elucidation of both plasticity and druggability of biological systems ranging from cancer regulation to multidrug efflux in bacteria. Currently employed as Technical Expert in Comput. Chemistry at Syngenta (UK).
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Venkata Krishnan Ramaswamy.
M.S.(Pharm.) in Pharmacoinformatics in 2013, Ph.D. in Physics in 2017 at University of Cagliari. My experience and expertise include the computational study of protein dynamics and protein-ligand interactions for applications in drug design. I have also developed a few cheminformatics software tools and contributed to the development of the MPDS software toolset. Currently computational Chemistry Developer at Cresset software & discovery services (UK).
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Francesca Cardamone.
MSc in Bioinformatics in 2014 at the University of Rome Tor Vergata (IT). PhD label in Materials for Health, Environment and Energy, Chemistry Department, in collaboration with Groningen University (NL). Post-Doctoral Researcher in 2019 at the Physics Department, University of Cagliari (IT). My research focuses on structural biology and dynamics of macromolecules in solution as well as protein-protein interactions, flow transports and mutants analysis associated with rare pathologies using several computational approaches. Expertise in AA-MD simulation and molecular docking methods.
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Francesco Oliva.
Ph.D. in Industrial Chemistry in 2020. Developer of algorithms to automate the study of proteins related to neurological diseases and the impact of single point mutations on protein-protein interactions. Currently employed at EVOTEC, Toulouse (France).
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Andrea Basciu, Post-Doctoral Researcher.
M.Sc. in Physics in 2016, Ph.D. in Physics in 2020, currently Post-Doctoral Researcher in Computational Biophysics, Physics Department, University of Cagliari. His main research topics include: (i) studying molecular recognition events by means of enhanced-sampling MD simulations, machine learning algorithms and docking calculations; (ii) the setting-up of a database of protein conformations for drug-design applications; (iii) studying the structural assembly and the functioning of bacterial multidrug efflux transporters.
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Andrea Catte, Post-Doctoral Researcher.
M.Sc. in Chemistry in 2000, Ph.D. in Chemistry in 2003, currently Post-Doctoral Researcher in Computational Biophysics, Physics Department, University of Cagliari. His main research topic is the study of the interaction of RND transporters of Gram-negative bacteria with antimicrobial compounds by employing widely used computational techniques, such as molecular docking and molecular dynamics simulations.
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Enrico Margiotta.
Ph.D. in Theoretical and Medicinal Chemistry. Expertise in MM and QM-DFT methods for application towards structure-based and ligand-based drug design. Currently Research Scientist at Broad Institute of MIT & Harvard (USA).
[Semantic Scholar]

CONTACTS Giuliano Malloci Andrea Bosin Attilio Vittorio Vargiu Paolo Ruggerone