Ioana Mariuca Ilie

This study uses simulations to show that nanoparticle release from cells depends on pore expansion barriers and activity distribution, with smaller particles escaping more easily than larger ones.

The paper designs cyclic peptides to inhibit prion conversion in vitro, showing one peptide significantly reduces PrPSc levels by stabilizing PrPc structure.

This study uses coarse-grained simulations to investigate how nanoparticle properties affect their interaction with cell membranes, identifying regimes that influence cellular uptake.

This paper designs and validates Bax-inhibiting peptides using rational design and molecular dynamics simulations, showing high affinity binding and structural modulation of Bax.

This study uses molecular dynamics simulations to examine how curcumin degradation products interact with Aβ42 dimers, showing π-π stacking interactions and structural changes.

The paper identifies sequence preferences for de novo DNA methylation by DNMT3A and DNMT3B in mouse stem cells, showing structural basis for context-specific methylation.