Theoretical investigation of the enzymatic phosphoryl transfer of β-phosphoglucomutase: revisiting both steps of the catalytic cycle - Elsässer, Brigitta; Dohmeier-Fischer, Silvia; Fels, Gregor (Journal of molecular modeling, 2012)
Keywords: Catalysis; Catalytic Domain; Characterization and Evaluation of Materials; Chemistry; Chemistry and Materials Science; Computer Appl. in Life Sciences; Computer Applications in Chemistry; Hydrogen Bonding; Kinetics; Models, Theoretical; Molecular Medicine; Original Paper; Phosphotransferases (Phosphomutases) - chemistry; Protein Conformation; Theoretical and Computational Chemistry; Reaction mechanism; QM/MM; Pentacoordinated phosphorane intermediate; phosphoglucomutase; Phosphoryl transfer; Transition state search