Marcel Aguilella‐Arzo

This paper shows that membrane lipid composition and asymmetry determine whether a CPP translocates or causes leakage, using simulations and experiments.

The paper benchmarks pKa prediction methods for OmpF channel using Constant pH Molecular Dynamics and finds existing methods fail to capture membrane-embedded channel specificities.

This study uses computational methods to analyze how different cell-penetrating peptides interact with and disrupt cell membranes, identifying mechanisms based on lipid composition and peptide type.