Janet Vonck

The paper develops a workflow to predict sidechain conformations of acidic amino acids in cryo-EM maps, validated through Q-score and molecular dynamics simulations.

The paper determines the structure of tafazzin and shows coenzyme A is bound to it, revealing a transacylation mechanism and molecular basis for Barth syndrome.

This study shows that using pre-determined protonation states in MD simulations improves structural accuracy for membrane proteins, highlighting the importance of protonation state calculations before simulations.

This study investigates the molecular mechanisms of fungal fatty acid synthase (FAS) assembly, revealing a pathway of domain-domain interactions that underlies its quaternary structure formation.