I am interested in how the intrinsically disordered regions (IDRs) of E3 ubiquitin ligases recognize and recruit their substrates. I focus on HUWE1, a large HECT-type E3 ligase known for its unusually broad substrate range. I want to understand the molecular mechanisms that let HUWE1 bind so many different substrates, using all-atom and coarse-grained molecular dynamics simulations together with machine learning.

I use molecular dynamics simulations and machine learning-based contact analysis to study interaction patterns and dynamics during condensate formation.

I am using all-atom molecular dynamics simulations to study the effect of small chemical modifications on protein-ligand binding, with particular interest in the role of water networks.

My research interest focuses on protein - ligand binding free energy, currently i am focusing on protein conformational changes and their impact in ligand binding.

I use molecular dynamics and alchemical free energy perturbation (FEP) calculations to predict how mutations and ligand modifications affect binding free energies at atomic resolution.

My research interest lies in biomolecular condensate formation, which I study using all-atom molecular dynamics simulations and free energy methods applied to coacervate systems.

I use coarse-grained molecular dynamics to study how nonequilibrium phosphorylation–dephosphorylation reactions and enzyme localization couple molecular interactions to the phase separation and dynamics of TDP-43 condensates.