Nucleolar Essential Protein 1 (Nep1): Elucidation of Enzymatic Catalysis Mechanism by Combined Molecular Dynamics Simulation and Quantum Chemical Calculations
M. Jedrzejewski, B. Belza, I. Lewandowska…·J. I. Sulkowska
This study elucidates the catalytic mechanism of Nep1 using molecular dynamics and quantum chemical calculations, revealing that water mediates proton transfer rather than a conserved serine residue.