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Alessandro Berselli

PhD Student
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
Article Journal
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
Article Journal
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
Review Journal
Berselli A., Ramos M. J., Menziani M.C.
Novel Pet-Degrading Enzymes: Structure-Function from a Computational Perspective
Review Journal
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
Article Journal