BioinformaticsPLoS ONEPeer-reviewed
Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: a QM/MM study
Rodrigo Recabarren, Edison H. Osorio, Julio Caballero…·Jans H. Alzate‐Morales
This study uses QM/MM calculations to analyze the phosphoryl transfer reaction in CDK2, finding the base-assisted mechanism is preferred with a potential energy barrier close to experimental values.
13 citations