A picture of Ivan Spirandelli

Ivan L. A. Spirandelli

I am a mathematician with a background in computational topology, discrete geometry and combinatorics.

I am currently a postdoctoral researcher at the University of Potsdam and an affiliate at Lawrence Berkeley National Laboratory which I visited as a Fulbright fellow in 2024/2025.

During my PhD I investigated molecular self-assembly in simulations governed by shape-based potentials. At the moment I am further developing this method to simulate how protein-protein interaction inhibitors bind to protein targets.

Publications

Preprints

Software

Visual Impressions

Evolution of a Random Walk Metropolis simulation docking a ligand to a protein target. The simulated system shown is PDBbind database entry 1a30.

*You can rotate, zoom, and pan the structure.