Simone Scrima

MAVISp provides a modular structural framework for analyzing protein variant effects, offering over eight million variants across 1000 proteins with curated data and a web server for accessibility.

This study uses molecular dynamics simulations to investigate how acidic sphingomyelinase interacts with lysosomal membranes and how cation amphiphilic drugs like ebastine affect these interactions.

The paper creates a structural atlas of ASM variants to understand their pathogenic mechanisms and therapeutic implications.

The paper compares force fields to model NPL4's zinc-bound states and its interaction with copper and Antabuse metabolites using MD simulations and QM calculations.

LipidDyn is a computational pipeline that analyzes MD simulations of membranes with varying compositions to extract properties like area per lipid and thickness.