Paolo Ruggerone

This study investigates how the allosteric inhibitor G6PDi-1 affects G6PD activity by combining biochemical assays and computational methods, revealing binding sites and allosteric effects that disrupt oligomerization.

This study identifies a cytosolic function of DNMT1 in regulating neuronal morphogenesis through microtubule dynamics and organelle trafficking, independent of its catalytic activity and nuclear localization.

This paper introduces a method to generate bound-like conformations of flexible, multi-domain proteins using unbound structures and binding site information, demonstrating its effectiveness on adenylate kinase.

This study identifies molecular descriptors predictive of compound permeation across P. aeruginosa outer membrane using physicochemical, docking, and MD simulation data.

MoNvIso predicts the correct protein isoform for mutations and builds structural models of wild-type and variant isoforms using gene names and mutation lists.