Publications
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An artificial DNAzyme RNA ligase shows a reaction mechanism resembling that of cellular polymerases,
, Nature Catalysis, 06/2019, Volume 2, Issue 6, p.544 - 552, (2019)
Modeling, Simulations, and Bioinformatics at the Service of RNA Structure,
, Chem, 10/2019, Volume 5, Issue 1, p.51 - 73, (2019)
Chapter 7 Molecular Modelling of Nucleic Acids,
, Computational Tools for Chemical Biology, p.165 - 197, (2017)
Compaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry,
, ACS Central Science, 05/2017, Volume 3, Issue 5, p.454 - 461, (2017)
Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance,
, Proc. Natl. Acad. Sci, USA, 08/2017, Volume 114, Issue 32, p.E6526 - E6535, (2017)
Multiscale simulation of DNA,
, Current Opinions in Structural Biology - Theory and simulation • Macromolecular machines 2016, 02/2016, Volume 37, p.29 - 45, (2016)
Small Details Matter: The 2′-Hydroxyl as a Conformational Switch in RNA,
, Journal of the American Chemical Society, 12/2016, Volume 138, Issue 50, p.16355 - 16363, (2016)
α1,4-N-Acetylhexosaminyltransferase EXTL2: The Missing Link for Understanding Glycosidic Bond Biosynthesis with Retention of Configuration,
, ACS Catalysis, 2016/04/01, Volume 6, Issue 4, p.2577 - 2589, (2016)
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.,
, Angew Chem Int Ed Engl, 2015 Aug 17, Volume 54, p.9898-902, (2015)
QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism,
, Advances in Protein Chemistry and Structural Biology, p.-, (2015)
QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism,
, Advances in Protein Chemistry and Structural Biology, Volume 100, p.-, (2015)
Visualizing phosphodiester-bond hydrolysis by an endonuclease.,
, Nat Struct Mol Biol, 2015 Jan, Volume 22, p.65-72, (2015)
A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2.,
, Org Biomol Chem, 2014 May 7, Volume 12, p.2645-55, (2014)
Effect of zinc and calcium ions on the rat kidney membrane-bound form of dipeptidyl peptidase IV.,
, J Biosci, 2013 Sep, Volume 38, p.461-9, (2013)
Enzyme-directed mutasynthesis: a combined experimental and theoretical approach to substrate recognition of a polyketide synthase.,
, ACS Chem Biol, 2013 Feb 15, Volume 8, p.443-50, (2013)
Substrate-assisted and nucleophilically assisted catalysis in bovine α1,3-galactosyltransferase. Mechanistic implications for retaining glycosyltransferases.,
, J Am Chem Soc, 2013 May 8, Volume 135, p.7053-63, (2013)
Essential role of glutamate 317 in galactosyl transfer by α3GalT: a computational study.,
, Carbohydr Res, 2012 Jul 15, Volume 356, p.204-8, (2012)
Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: a key to allosteric behavior of this class of enzymes?,
, Proteins, 2012 Mar, Volume 80, p.703-12, (2012)
Retaining glycosyltransferase mechanism studied by QM/MM methods: lipopolysaccharyl-α-1,4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition state.,
, J Am Chem Soc, 2012 Mar 14, Volume 134, p.4743-52, (2012)
Effect of divalent cations on the porcine kidney cortex membrane-bound form of dipeptidyl peptidase IV.,
, Int J Biochem Cell Biol, 2011 Mar, Volume 43, p.363-71, (2011)
Screening of inhibitors of porcine dipeptidyl peptidase IV activity in aqueous extracts from marine organisms,
, Enzyme Microb. Technol., Volume 40, Number {3, SI}, {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, p.414-419, (2007)