Preprints and postprints

Recent Publications by the Group

Lee J, Patel DS, Ståhle J, Park SJ, Kern NR, Kim SH, Lee J, Cheng X, Valvano MA, Holst O, Knirel YA, Qi Y, Jo S, Klauda JB, Widmalm G, Im W. CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans. J Chem Theory Comput. 2018 Dec 11;.

Ståhle J, Fontana C, Weintraub A, Widmalm G. Elucidation of the O-antigen structure of Escherichia coli O63. Glycobiology. 2018 Oct 20;.

Hamark C, Pendrill R, Landström J, Dotson Fagerström A, Sandgren M, Ståhlberg J, Widmalm G. Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A. Chemistry. 2018 Dec 5;24(68):17975-17985.

Martínez-Gómez E, Ståhle J, Gil-Ramírez Y, Zúñiga-Ripa A, Zaccheus M, Moriyón I, Iriarte M, Widmalm G, Conde-Álvarez R. Genomic Insertion of a Heterologous Acetyltransferase Generates a New Lipopolysaccharide Antigenic Structure in Brucella abortus and Brucella melitensis. Front Microbiol. 2018;9:1092.

Pope GM, Hung I, Gan Z, Mobarak H, Widmalm G, Harper JK. Exploiting 13C/14N solid-state NMR distance measurements to assign dihedral angles and locate neighboring molecules. Chem Commun (Camb). 2018 Jun 14;54(49):6376-6379.

Zerbetto M, Angles d'Ortoli T, Polimeno A, Widmalm G. Differential Dynamics at Glycosidic Linkages of an Oligosaccharide as Revealed by 13C NMR Spin Relaxation and Stochastic Modeling. J Phys Chem B. 2018 Mar 1;122(8):2287-2294.

Jo S, Myatt D, Qi Y, Doutch J, Clifton LA, Im W, Widmalm G. Multiple Conformational States Contribute to the 3D Structure of a Glucan Decasaccharide: A Combined SAXS and MD Simulation Study. J Phys Chem B. 2018 Jan 25;122(3):1169-1175.

Daikoku S, Pendrill R, Kanie Y, Ito Y, Widmalm G, Kanie O. Synthesis and structural investigation of a series of mannose-containing oligosaccharides using mass spectrometry. Org Biomol Chem. 2018 Jan 3;16(2):228-238.

Bartholomeyzik T, Pendrill R, Lihammar R, Jiang T, Widmalm G, Bäckvall JE. Kinetics and Mechanism of the Palladium-Catalyzed Oxidative Arylating Carbocyclization of Allenynes. J Am Chem Soc. 2018 Jan 10;140(1):298-309.

Thorsheim K, Willén D, Tykesson E, Ståhle J, Praly JP, Vidal S, Johnson MT, Widmalm G, Manner S, Ellervik U. Naphthyl Thio- and Carba-xylopyranosides for Exploration of the Active Site of β-1,4-Galactosyltransferase 7 (β4GalT7). Chemistry. 2017 Dec 19;23(71):18057-18065.

Engström O, Mobarak H, Ståhle J, Widmalm G. Conformational Dynamics and Exchange Kinetics of N-Formyl and N-Acetyl Groups Substituting 3-Amino-3,6-dideoxy-α-d-galactopyranose, a Sugar Found in Bacterial O-Antigen Polysaccharides. J Phys Chem B. 2017 Oct 19;121(41):9487-9497.

Prestegard JH, Liu J, Widmalm G, Varki A, Cummings RD, Esko JD, Stanley P, Hart GW, Aebi M, Darvill AG, Kinoshita T, Packer NH, Prestegard JH, Schnaar RL, Seeberger PH. Oligosaccharides and Polysaccharides . 2015;.

Casillo A, Ståhle J, Parrilli E, Sannino F, Mitchell DE, Pieretti G, Gibson MI, Marino G, Lanzetta R, Parrilli M, Widmalm G, Tutino ML, Corsaro MM. Erratum to: Structural characterization of an all-aminosugar-containing capsular polysaccharide from Colwellia psychrerythraea 34H. Antonie Van Leeuwenhoek. 2017 Nov;110(11):1389.

Angles d'Ortoli T, Hamark C, Widmalm G. Structure-Reactivity Relationships of Conformationally Armed Disaccharide Donors and Their Use in the Synthesis of a Hexasaccharide Related to the Capsular Polysaccharide from Streptococcus pneumoniae Type 37. J Org Chem. 2017 Aug 4;82(15):8123-8140.

Blasco P, Patel DS, Engström O, Im W, Widmalm G. Conformational Dynamics of the Lipopolysaccharide from Escherichia coli O91 Revealed by Nuclear Magnetic Resonance Spectroscopy and Molecular Simulations. Biochemistry. 2017 Jul 25;56(29):3826-3839.

Shen Z, Mobarak H, Li W, Widmalm G, Yu B. Synthesis of β-(1→2)-Linked 6-Deoxy-l-altropyranose Oligosaccharides via Gold(I)-Catalyzed Glycosylation of an ortho-Hexynylbenzoate Donor. J Org Chem. 2017 Mar 17;82(6):3062-3071.

Casillo A, Ståhle J, Parrilli E, Sannino F, Mitchell DE, Pieretti G, Gibson MI, Marino G, Lanzetta R, Parrilli M, Widmalm G, Tutino ML, Corsaro MM. Structural characterization of an all-aminosugar-containing capsular polysaccharide from Colwellia psychrerythraea 34H. Antonie Van Leeuwenhoek. 2017 Nov;110(11):1377-1387.

Hamark C, Berntsson RP, Masuyer G, Henriksson LM, Gustafsson R, Stenmark P, Widmalm G. Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A. J Am Chem Soc. 2017 Jan 11;139(1):218-230.

Perepelov AV, Wang Q, Filatov AV, Xia X, Shashkov AS, Weintraub A, Widmalm G, Wang L, Knirel YA. Corrigendum to "Structures and gene clusters of the closely related O-antigens of Escherichia coli O46 and O134, both containing d-glucuronoyl-d-allothreonine" [Carbohydr. Res. 409 (2015) 20-24]. Carbohydr Res. 2016 Dec 21;436:54.

Patel DS, Park S, Wu EL, Yeom MS, Widmalm G, Klauda JB, Im W. Influence of Ganglioside GM1 Concentration on Lipid Clustering and Membrane Properties and Curvature. Biophys J. 2016 Nov 1;111(9):1987-1999.

Berglund J, Angles d'Ortoli T, Vilaplana F, Widmalm G, Bergenstråhle-Wohlert M, Lawoko M, Henriksson G, Lindström M, Wohlert J. A molecular dynamics study of the effect of glycosidic linkage type in the hemicellulose backbone on the molecular chain flexibility. Plant J. 2016 Oct;88(1):56-70.

Kim S, Patel DS, Park S, Slusky J, Klauda JB, Widmalm G, Im W. Bilayer Properties of Lipid A from Various Gram-Negative Bacteria. Biophys J. 2016 Oct 18;111(8):1750-1760.

Lisacek F, Mariethoz J, Alocci D, Rudd PM, Abrahams JL, Campbell MP, Packer NH, Ståhle J, Widmalm G, Mullen E, Adamczyk B, Rojas-Macias MA, Jin C, Karlsson NG. Databases and Associated Tools for Glycomics and Glycoproteomics. Methods Mol Biol. 2017;1503:235-264.

Fontana C, Zaccheus M, Weintraub A, Ansaruzzaman M, Widmalm G. Structural studies of a polysaccharide from Vibrio parahaemolyticus strain AN-16000. Carbohydr Res. 2016 Sep 2;432:41-9.

Yang M, Angles d'Ortoli T, Säwén E, Jana M, Widmalm G, MacKerell AD. Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations. Phys Chem Chem Phys. 2016 Jul 28;18(28):18776-94.

Kuttel MM, Ståhle J, Widmalm G. CarbBuilder: Software for building molecular models of complex oligo- and polysaccharide structures. J Comput Chem. 2016 Aug 15;37(22):2098-105.

Shashkov AS, Zhang W, Perepelov AV, Weintraub A, Liu B, Widmalm G, Knirel YA. Structure of the O-polysaccharide of Escherichia coli O132. Carbohydr Res. 2016 Jun 2;427:44-7.

Kang Y, Gohlke U, Engström O, Hamark C, Scheidt T, Kunstmann S, Heinemann U, Widmalm G, Santer M, Barbirz S. Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions. J Am Chem Soc. 2016 Jul 27;138(29):9109-18.

Muheim C, Bakali A, Engström O, Wieslander Å, Daley DO, Widmalm G. Identification of a Fragment-Based Scaffold that Inhibits the Glycosyltransferase WaaG from Escherichia coli. Antibiotics (Basel). 2016 Jan 28;5(1).

Kadeřávek P, Zapletal V, Fiala R, Srb P, Padrta P, Přecechtělová JP, Šoltésová M, Kowalewski J, Widmalm G, Chmelík J, Sklenář V, Žídek L. Spectral density mapping at multiple magnetic fields suitable for (13)C NMR relaxation studies. J Magn Reson. 2016 May;266:23-40.

publications.txt · Last modified: 2016/09/30 10:55 by gw