Fran Bačić Toplek

This study evaluates multi-eGO's ability to predict PDZ2-peptide binding changes across mutations, showing good thermodynamic agreement but limited kinetic accuracy.

The paper improves a coarse-grained model for biomolecular condensates by enhancing dilute-state properties, showing better condensed-phase behavior but not full quantitative accuracy.

This paper uses molecular dynamics simulations to study how static electric fields affect Aβ42 fibrils, showing they destabilize fibrils by altering surface properties and reducing secondary nucleation.