3 papers
q-bio.PE2026
Bayes-PD: Exploring a Sequence to Binding Bayesian Neural Network model trained on Phage Display data
Ilann Amiaud-Plachy, Michael Blank, Oliver Bent +1
Phage display is a powerful laboratory technique used to study the interactions between proteins and other molecules, whether other proteins, peptides, DNA or RNA. The under-utilis…
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…