Antonio Rey

Determination of nucleotide-nucleotide and nucleotide-amino acid binding interactions from all-atom potential-of-mean-force calculations

This study uses all-atom simulations to analyze nucleotide-nucleotide and nucleotide-amino acid interactions, revealing key binding modes and their role in biomolecular condensate formation.

Compositional control of ageing kineticsin TDP-43 condensates

This study uses Molecular Dynamics simulations to show how different biomolecules affect the ageing kinetics of TDP-43 condensates, with arginine-rich peptides accelerating and poly-Uridine RNA slowing the formation of harmful cross-β-sheet structures.

Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates

This study benchmarks six residue-resolution coarse-grained models to evaluate their accuracy in simulating the phase behavior and material properties of hnRNPA1 LCD condensates.

Capturing single-molecule properties does not ensure accurate prediction of biomolecular phase diagrams

This study evaluates five coarse-grained protein models for predicting phase diagrams of hnRNPA1 LCD mutants, finding that only three accurately reproduce experimental data, highlighting the need to balance single-molecule and collective properties.