 Paolo Ruggerone, Full Professor.
M.Sc. in Physics (University of Milan), Ph.D. in Physics (Scuola Normale, Pisa), currently Full Professor of Applied Physics at the Physics Department of the University of Cagliari. I focus my research on the following topics: i) computational study of bacterial efflux systems (MSF and RND families); ii) characterization of molecular properties of compounds of pharmachological interest; iii) identification of key interactions in the synapsis network; iv) dynamical properties of viral proteins and their inhibition by small molecules.
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 Attilio Vittorio Vargiu, Associate Professor
M.Sc. in Physics in 2003, Ph.D. in Physics in 2008, currently Associate Professor of Applied Physics at the Physics Department of the University of Cagliari. My main research interests are the following ones: i) development of computational protocols to improve the sampling of rare conformations of proteins and the predictive power of molecular docking and virtual screening; ii) computational investigation of the functioning and the inhibition of bacterial multidrug efflux transporters; iii) characterization and molecular rationalization of the self-assembly process of hydrogelling chiral peptides; iv) studies on molecular properties and inhibition of viral proteins by small molecules.
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 Giuliano Malloci, Assistant Professor (Ricercatore).
M.Sc. (Ph.D) in Physics in 1999 (2003), Assistant Professor in Physics of Matter, Physics Department, University of Cagliari. Main interests include i) set-up/development of computational protocols addressing function, mechanism, and inhibition of multidrug efflux transporters; ii) DFT calculations of vibrational, electronic and optical properties of molecules/nanostructures; iii) data collection and sharing for molecular design and applied Physics; iv) fun science experiments (Laboratorio Scienza - Museo di Fisica UniCA ).
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 Andrea Bosin, Assistant Professor (Ricercatore).
M.Sc. in Physics in 1990, Ph.D. in Physics in 1995, currently Assistant Professor in Computer Science, Physics Department,
University of Cagliari. Main research interests include software tools and data sharing (database and web-oriented) for bio-physics related systems, quantum simulations of electronic and optical properties of molecules and solids, molecular dynamics simulations, GPU and HPC computing and management, OS virtualization, Linux system management, micro-controller programming (Arduino).
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 Silvia Gervasoni, Post-Doctoral Researcher.
M.Sc. in Pharmaceutical Biotechnologies in 2017, Ph.D. in Pharmaceutical Sciences in 2021, currently Post-
Doctoral Researcher in Computational Biophysics, Physics Department, University of Cagliari. Her main
research topic is the study of the interaction of antimicrobial compounds with bacterial efflux systems,
using molecular docking and molecular dynamics simulations. The aim is to provide insights into features
that are crucial for the functioning of these complex molecular machines.
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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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 Mohd Athar, Post-Doctoral Researcher.
M.Sc. (Ph.D) in Chemistry in 2013 (2019), currently Post-Doc in Computational Biophysics, University of Cagliari. His research includes the study of the binding modes and the affinities of various compound classes to the main sites of the Mex transporters (MexB, MexD, MexF and MexY). In addition, he is also using atomistic and coarse-grained simulations to understand molecular details on the inhibition of the major efflux transporters in Gram-negative bacteria.
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 Arpita Srivastava, Post-Doctoral Researcher.
Hold expertise in the field of Multiscale modeling of Soft Matters using quantum and molecular dynamics simulations. Core skills include investigation of morphological properties and energetics of self-aggregation of molecules with biological and industrial importance.
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