Total number of publications: 58
2017
-
CH-pi stacking interaction in carbohydrate-protein complexes
Year: 2017, type: Conference abstract
-
Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL
Plos one, year: 2017, volume: 12, edition: 12, DOI
-
Reaction mechanism of Mycobacterial glycosyltransferase GlfT2: Computational study
Year: 2017, type: Appeared in Conference without Proceedings
2016
-
Bridging the Gap between QM and MM with ReaxFF: Towards Accurate Reactive Molecular Dynamics of Enzymes
Year: 2016, type: Appeared in Conference without Proceedings
-
Different QM/MM Approaches To Elucidate Enzymatic Reactions: Case Study on ppGalNAcT2
Journal of Chemical Theory and Computation, year: 2016, volume: 12, edition: 12, DOI
-
Reaction Mechanism of O-GlcNAc Transferase Explored By QM/MM Molecular Dynamics
Year: 2016, type: Conference abstract
-
The GlcNAc-TV Glycosyltransferase Homology Model Strucutre
Year: 2016, type: Conference abstract
-
Three-dimensional homology model of GlcNAc-TV glycosyltransferase
Glycobiology, year: 2016, volume: 26, edition: 7, DOI
2015
-
Catalytic Mechanism of the ppGalNAcT2 Retaining Glycosyltransferase Inferred From QM/MM Calculations
Year: 2015, type: Appeared in Conference without Proceedings
-
Exploring Reaction Pathways for O-GlcNAc Transferase Catalysis. A String Method Study
Journal of Physical Chemistry B, year: 2015, volume: 119, edition: 12, DOI