Damien Laage

Catalysis of Phosphoanhydride Hydrolysis in Water: How Protonation and the Magnesium Ion Shape Transition-State Diversity
Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity
Competing Reaction Mechanisms of Peptide Bond Formation in Water Revealed by Deep Potential Molecular Dynamics and Path Sampling
Activation and friction in enzymatic loop opening and closing dynamics