QM/MM Studies Reveal How Substrate-Substrate and Enzyme-Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism - Gómez, Hansel; Mendoza, Fernanda; Lluch, José M; Masgrau, Laura (Advances in protein chemistry and structural biology, 2015)
Keywords: Bacteria - chemistry; Bacteria - enzymology; Bacterial Proteins - chemistry; Biocatalysis; Galactosyltransferases - chemistry; Glycosyltransferases - chemistry; Humans; Hydroxylation; Kinetics; Molecular Dynamics Simulation; Monosaccharides - chemistry; N-Acetylgalactosaminyltransferases - chemistry; Polypeptide N-acetylgalactosaminyltransferase; Quantum Theory; Stereoisomerism; Substrate Specificity; Thermodynamics; Front-side attack; Substrate-assisted catalysis; QM/MM; Retaining glycosyltransferases; Double-displacement mechanism