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Alessandro Berselli

Affiliated Researcher
Neuroscience and Smart Materials
Research center

Chemist by training, during my university education I got passionate towards theoretical and computational approaches to investigate the world.

Currently, I am a PhD student at the Center for Synaptic Neuroscience and Technology, where I am involved in a project aimed at elucidating the structural and functional properties of the blood-brain barrier for clinical applications. 

Molecular dynamics and molecular docking are the main techniques that I routinely use to simulate biological systems. However, I have also matured some experience with quantum calculations, bioinformatic tools and machine learning methods. 


Title: Master's Degree in Chemistry Science
Institute: University of Modena and Reggio Emilia
Location: Modena
Country: Italy
From: 2018 To: 2020


Computational and informatics skills
- Molecular dynamics simulations
- Python, Tcl, bash programming languages
- Linux operating system
- Bioinformatic tools

All Publications
Berselli A., Alberini G., Benfenati F., Maragliano L.
Computational Assessment of Different Structural Models for Claudin-5 Complexes in Blood-Brain Barrier Tight Junctions
ACS Chemical Neuroscience, vol. 13, (no. 14), pp. 2140-2153
Berselli A., Alberini G., Benfenati F., Maragliano L.
Computatonal study of ion permeation through claudin-4 paracellular channels
Annals of the New York Academy of Sciences
Berselli A., Benfenati F., Maragliano L., Alberini G.
Multiscale modelling of claudin-based assemblies: A magnifying glass for novel structures of biological interfaces
Computational and Structural Biotechnology Journal, vol. 20, pp. 5984-6010
Berselli A., Ramos M. J., Menziani M.C.
Novel Pet-Degrading Enzymes: Structure-Function from a Computational Perspective
Fortino M., Berselli A., Stone Weiss N., Deng L., Goel A., Du J., Pedone A.
Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT-GIPAW calculations
Journal of the American Ceramic Society, vol. 102, (no. 12), pp. 7225-7243