Vittorio Limongelli

This study identifies thermodynamic and kinetic factors that determine ligand selectivity between A2A and A2B adenosine receptors using computational simulations.

This study investigates how lithocholic acid modulates GPBAR1 activation and G protein engagement through molecular dynamics simulations and structural analysis.

This paper develops a peptidomimetic inhibitor of eIF4E that suppresses cap-dependent translation in cancer and neurodevelopmental disorders, showing efficacy in cell and animal models.

This study evaluates the preclinical efficacy of BGB-16673 and sonrotoclax in marginal zone lymphoma models, showing enhanced apoptosis when combined.

The paper introduces a coarse-grained MD approach to simulate competitive ligand binding at the adenosine A2A receptor, revealing cooperative mechanisms in ligand competition.

This study shows that combining CXCR4 inhibitors with standard and targeted therapies improves anti-tumor effects in B-cell lymphoma models, especially in drug-resistant cases.

This study reveals the transport mechanism of uracil/H+ by FurE, showing a step-wise, induced-fit process rather than the rocking-bundle mechanism.