Vittorio Limongelli
Lugano, TI, Switzerland
Last Updated: 09/26/2026
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Found 60 publications
QM/MM Free Energy Calculations of IRE1 Reveal a Unique Protonation State of the Catalytic Lys599.
Journal: Journal of computational chemistry
Published: August 04, 2025
HEroBM: A deep equivariant graph neural network for high-fidelity backmapping from coarse-grained to all-atom structures.
Journal: The Journal of chemical physics
Published: May 12, 2025
The need to implement FAIR principles in biomolecular simulations.
Journal: Nature methods
Published: April 02, 2025
PLUMED Tutorials: A collaborative, community-driven learning ecosystem.
Journal: The Journal of chemical physics
Published: December 03, 2024
Functional dynamics of G protein-coupled receptors reveal new routes for drug discovery.
Journal: Nature reviews. Drug discovery
Published: October 25, 2024
Age- and sex-related variations in extracellular vesicle profiling for the assessment of cardiovascular risk: the EVaging index.
Journal: npj aging
Published: August 06, 2024
Perspectives on Ligand/Protein Binding Kinetics Simulations: Force Fields, Machine Learning, Sampling, and User-Friendliness.
Journal: Journal of chemical theory and computation
Published: September 01, 2023
Uracil/H+ Symport by FurE Refines Aspects of the Rocking-bundle Mechanism of APC-type Transporters.
Journal: Journal of molecular biology
Published: April 13, 2023
Expanding the Library of 1,2,4-Oxadiazole Derivatives: Discovery of New Farnesoid X Receptor (FXR) Antagonists/Pregnane X Receptor (PXR) Agonists.
Journal: Molecules (Basel, Switzerland)
Published: March 02, 2023
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase.
Journal: Communications chemistry
Published: February 27, 2023
Phosphorylation of FAM134C by CK2 controls starvation-induced ER-phagy.
Journal: Science advances
Published: August 31, 2022
Last Updated: 09/26/2026