Publications

Title Yearsort ascending
Design of alpha-S-neoglycopeptides derived from MUC1 with a flexible and solvent exposed sugar moiety. 2016
The closed conformation of the LDL receptor is destabilized by the low Ca++ concentration but favored by the high Mg++ concentration in the endosome. 2016
A trapped covalent intermediate of a glycoside hydrolase on the pathway to transglycosylation. Insights from experiments and QM/MM simulations. 2016
Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target. 2016
Rational design of glycomimetic compounds targeting the Saccharomyces cerevisae transglycosylase Gas2. Chemical Biology & Drug Design, 2016
Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation. 2015
Pharmacophore-based virtual screening to discover new active compounds for human choline kinase α1. 2015
Structural and Functional Analysis of Yeast Crh1 and Crh2 Transglycosylases. 2015
X-ray Structures decipher the Non-equivalence of Serine and Threonine O-glycosylation points: Implications for the Molecular Recognition of the Tn Antigen by an anti-MUC1 Antibody. 2015
Detection of Tumor-Associated Glycopeptides by Lectins: the Peptide Context Modulates Carbohydrate Recognition. 2015
Serine versus Threonine Glycosylation with a-O-GalNAc: Implications for the molecular recognition by lectins. 2014
A hydrogen bond network in the active site of Anabaena Ferredoxin-NADP+ reductase modulates its catalytic efficiency. 2014
Discovery of a new binding site on human choline kinase α1: design, synthesis, crystallographic studies and biological evaluation of asymmetrical bispyridinium derivatives. 2014
Choline kinase active site provides features for designing versatile inhibitors. 2014
Combined structural snapshots and metadynamics reveal a substrate-guided front-face reaction for polypeptide GalNAc-transferase T2 . 2014
The Mechanism of Allosteric Coupling in Choline Kinase α1 Revealed by the Action of a Rationally Designed Inhibitor. 2013
Synthesis of O- and C-glycosides derived from β-(1,3)-D-glucans. 2013
Determination of potential scaffolds for human choline kinase a1 by chemical deconvolution studies. 2013
Asymmetric Synthesis of N-(Alkoxycarbonylmethyl)-3-Hydroxypyrrolidin-2-ones. 2013
Genetic and structural validation of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase as an antifungal target 2013

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