A QM/MM Investigation of the Catalytic Mechanism of Metal-Ion-Independent Core 2 β1,6-N-Acetylglucosaminyltransferase

Substrate-Assisted Catalytic Mechanism of O-GlcNAc Transferase Discovered by Quantum Mechanics/Molecular Mechanics Investigation

(2012) Igor Tvaroška et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How Well Can Modern Density Functionals Predict Internuclear Distances at Transition States?

(2011) Xuefei Xu et al.   Journal of Chemical Theory and Computation

Structural and Mechanistic Characterization of Leukocyte-Type Core 2 β1,6-N-Acetylglucosaminyltransferase: A Metal-Ion-Independent GT-A Glycosyltransferase

(2011) John E. Pak et al.   JOURNAL OF MOLECULAR BIOLOGY

QM/MM Insight on Enzymatic Reactions of Glycosyltransferases

(2011) Igor Tvaroska   MINI-REVIEWS IN ORGANIC CHEMISTRY

Structure of human O-GlcNAc transferase and its complex with a peptide substrate

(2011) Michael B. Lazarus et al.   NATURE

How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals

(2010) Luis Simón et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Estimating binding affinities by docking/scoring methods using variable protonation states

(2010) Min-Sun Park et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights

(2009) Jingjing Zheng et al.   Journal of Chemical Theory and Computation

Hybrid Quantum Mechanical/Molecular Mechanical Investigation of the β-1,4-Galactosyltransferase-I Mechanism

(2009) Martin Krupička et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Carbohydrate-Active EnZymes database (CAZy): an expert resource for Glycogenomics

(2008) B. L. Cantarel et al.   NUCLEIC ACIDS RESEARCH

Glycosyltransferases: Structures, Functions, and Mechanisms

(2007) L.L. Lairson et al.   Annual Review of Biochemistry