activity
20232026
most citedPredicting protein stability changes under multiple amino acid substitutions using equivariant graph neural networks

1 citations · 1 across the 6 of their papers we have counts for

collaborators
Showing 2025Show all

2 papers · 1 filter

q-bio.BM2025

GeoGraph: Geometric and Graph-based Ensemble Descriptors for Intrinsically Disordered Proteins

Eoin Quinn, Marco Carobene, Jean Quentin +3

While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key…

physics.chem-ph2025

Universally applicable and tunable graph-based coarse-graining for Machine learning force fields

Christoph Brunken, Sebastien Boyer, Mustafa Omar +7

Coarse-grained (CG) force field methods for molecular systems are a crucial tool to simulate large biological macromolecules and are therefore essential for characterisations of bi…