Author

Vittorio Limongelli

3 papers indexed here

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Open access Aug 2026

Thermodynamic, Kinetic, and Structural Determinants of Ligand Selectivity in A2A and A2B Adenosine Receptors

G protein-coupled receptors are major pharmacological targets, yet achieving subtype selectivity remains challenging when closely related receptors share highly conserved orthosteric binding sites. Here, we investigate the molecular determinants governing ligand recognition and unbinding at the adenosine A2A and A2B re...

Omar Alsina, S. Di Cristofano, S. Raniolo et al. · bioRxiv · 0 citations

#protein folding Open access Oct 2026

BTK/BCL2 dual targeting enhances apoptosis in marginal zone lymphoma: preclinical activity of tacabrutideg (BGB-16673) and sonrotoclax.

Tacabrutideg demonstrates potent preclinical activity in MZL as a single agent and in combination regimens, and together with the superior activity of sonrotoclax, these findings provide a strong rationale for the clinical evaluation of dual BTK degradation and BCL2 inhibition in patients with MZL.

A. Arribas, Alex Zadro, E. Civanelli et al. · Haematologica · 0 citations

Review Open access Sep 2026

Deep Learning for Protein Modeling: From Single Structure to Bound Complex and Thermodynamic Ensemble, With a Focus on Architectural Design

Generative kinetics is indicated as an aspirational frontier in building physically grounded and transferable models, including data availability and fidelity, the choice of inductive biases to pursue generalization, and the need for rigorous model evaluation.

Daniele Angioletti, Matteo Carli, Marco S. Nobile et al. · WIREs Computational Molecula... · 0 citations