Matteo Lambrughi

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 examines how point mutations in TRAP1 affect its structure, function, and pro-neoplastic activity using molecular dynamics simulations and structural analysis.

This study uses MD simulations to show that N99 glycosylation in ATG9A enhances protomer interactions and lipid scrambling, but does not significantly affect autophagy flux.

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.

The paper evaluates 43 methods for predicting intrinsically disordered regions and binding regions in proteins, finding that deep learning methods outperform older physicochemical approaches but binding prediction remains challenging.

The paper analyzes the transcriptomic, mutational, and structural alterations of pro-survival Bcl-2 proteins in breast cancer to identify potential therapeutic targets.