Comparison of DFT and ab initio QM/MM methods for modelling reaction in chorismate synthase

by Lawan N., Ranaghan K.E., Manby F.R., Mulholland A.J.
Published 2014

Analysis of chorismate mutase catalysis by QM/MM modelling of enzyme-catalysed and uncatalysed reactions

by Claeyssens F., Ranaghan K.E., Lawan N., MacRae S.J., Manby F.R., Harvey J.N., Mulholland A.J.
Published 2014