SBBf-2025

SEARCHING CONFORMATIONS FOR THE AMYLIN PEPTIDE: REPLICA EXCHANGE SIMULATIONS AND COMPARISON WITH THE EXPERIMENT

SBBf-2025

ELUCIDATING AMYLIN PEPTIDE STRUCTURAL PROPERTIES BY EXPERIMENTAL TECHNIQUES AND MD SIMULATIONS

SBBf-2024

THE PRWGC18 AS A BIOCATALYST OF THE ALDOL REACTION: INVESTIGATING THE SELECTIVITY BY COMBINING QUANTUM AND CLASSICAL METHODS

SBQT 2023

Proline containing lipopeptide modelling with Hybrid Particle-field: From parameter optimization to investigating experimental data

SBBf 2023

Proline containing lipopeptides aggregates as weak acids: Insights from Constant pH molecular dynamics