| Preprints and postprints |
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https://orcid.org/0000-0001-8303-4481/print
Recent Publications by the Group
Hu ZX, Li SR, Xia QJ, Wang T, Voglmeir J, Widmalm G, Liu L. Enzymatic synthesis of N-formylated sialosides via a five-enzyme cascade. Org Biomol Chem. 2024 Aug 27;.
Bånkestad M, Dorst KM, Widmalm G, Rönnols J. Carbohydrate NMR chemical shift prediction by GeqShift employing E(3) equivariant graph neural networks. RSC Adv. 2024 Aug 16;14(36):26585-26595.
Strobl S, Zucchetta D, Vašíček T, Monti A, Ruda A, Widmalm G, Heine H, Zamyatina A. Nonreducing Sugar Scaffold Enables the Development of Immunomodulatory TLR4-specific LPS Mimetics with Picomolar Potency. Angew Chem Int Ed Engl. 2024 Jun 13;:e202408421.
Rush JS, Zamakhaeva S, Murner NR, Deng P, Morris AJ, Kenner CW, Black I, Heiss C, Azadi P, Korotkov KV, Widmalm G, Korotkova N. Structure and mechanism of biosynthesis of Streptococcus mutans cell wall polysaccharide. bioRxiv. 2024 May 9;.
Widmalm G. Glycan Shape, Motions, and Interactions Explored by NMR Spectroscopy. JACS Au. 2024 Jan 22;4(1):20-39.
Dorst KM, Engström O, Angles d'Ortoli T, Mobarak H, Ebrahemi A, Fagerberg U, Whitfield DM, Widmalm G. On the influence of solvent on the stereoselectivity of glycosylation reactions. Carbohydr Res. 2024 Jan;535:109010.
Dorst KM, Widmalm G. Conformational Preferences at the Glycosidic Linkage of Saccharides in Solution as Deduced from NMR Experiments and MD Simulations: Comparison to Crystal Structures. Chemistry. 2024 Mar 12;30(15):e202304047.
Dorst KM, Widmalm G. NMR chemical shift prediction and structural elucidation of linker-containing oligo- and polysaccharides using the computer program CASPER. Carbohydr Res. 2023 Nov;533:108937.
Scaletti ER, Pettersson P, Patrick J, Shilling PJ, Westergren RG, Daley DO, Mäler L, Widmalm G, Stenmark P. Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J Biol Chem. 2023 Oct;299(10):105256.
Plazinski W, Angles d'Ortoli T, Widmalm G. Conformational flexibility of the disaccharide β-L-Fucp-(1→4)-α-D-Glcp-OMe as deduced from NMR spectroscopy experiments and computer simulations. Org Biomol Chem. 2023 Aug 30;21(34):6979-6994.
Wiseman B, Widmalm G, Högbom M. Alternating L4 loop architecture of the bacterial polysaccharide co-polymerase WzzE. Commun Biol. 2023 Aug 2;6(1):802.
Smith MJ, Gates EL, Widmalm G, Adams RW, Morris GA, Nilsson M. Resolving the complexity in human milk oligosaccharides using pure shift NMR methods and CASPER. Org Biomol Chem. 2023 May 17;21(19):3984-3990.
Kwon J, Ruda A, Azurmendi HF, Zarb J, Battistel MD, Liao L, Asnani A, Auzanneau FI, Widmalm G, Freedberg DI. Glycan Stability and Flexibility: Thermodynamic and Kinetic Characterization of Nonconventional Hydrogen Bonding in Lewis Antigens. J Am Chem Soc. 2023 May 10;145(18):10022-10034.
Gates EL, Smith MJ, Bradley JP, Johnson M, Widmalm G, Nilsson M, Morris GA, Adams RW, Castañar L. Ultra-selective, ultra-clean 1D rotating-frame Overhauser effect spectroscopy. Chem Commun (Camb). 2023 May 11;59(39):5854-5857.
Gao Y, Widmalm G, Im W. Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Capsular Polysaccharides. J Chem Inf Model. 2023 Mar 13;63(5):1592-1601.
Fontana C, Widmalm G. Primary Structure of Glycans by NMR Spectroscopy. Chem Rev. 2023 Feb 8;123(3):1040-1102.
Ruda A, Aytenfisu AH, Angles d'Ortoli T, MacKerell AD Jr, Widmalm G. Glycosidic α-linked mannopyranose disaccharides: an NMR spectroscopy and molecular dynamics simulation study employing additive and Drude polarizable force fields. Phys Chem Chem Phys. 2023 Jan 27;25(4):3042-3060.
Furevi A, Ståhle J, Muheim C, Gkotzis S, Daley DO, Udekwu KI, Widmalm G. Elucidation of the O-antigen structure of Escherichia coli O93 and characterization of its biosynthetic genes. Glycobiology. 2023 May 17;33(4):289-300.
Furevi A, Udekwu KI, Widmalm G. Structural elucidation of the O-antigen polysaccharide from Escherichia coli O125ac and biosynthetic aspects thereof. Glycobiology. 2022 Nov 22;32(12):1089-1100.
Riu F, Ruda A, Ibba R, Sestito S, Lupinu I, Piras S, Widmalm G, Carta A. Antibiotics and Carbohydrate-Containing Drugs Targeting Bacterial Cell Envelopes: An Overview. Pharmaceuticals (Basel). 2022 Jul 29;15(8).
Auman D, Ecker F, Mader SL, Dorst KM, Bräuer A, Widmalm G, Groll M, Kaila VRI. Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J Am Chem Soc. 2022 Aug 31;144(34):15622-15632.
Furevi A, Ruda A, Angles d'Ortoli T, Mobarak H, Ståhle J, Hamark C, Fontana C, Engström O, Apostolica P, Widmalm G. Complete (1)H and (13)C NMR chemical shift assignments of mono-to tetrasaccharides as basis for NMR chemical shift predictions of oligo- and polysaccharides using the computer program CASPER. Carbohydr Res. 2022 Mar;513:108528.
Riu F, Ruda A, Engström O, Muheim C, Mobarak H, Ståhle J, Kosma P, Carta A, Daley DO, Widmalm G. A Lead-Based Fragment Library Screening of the Glycosyltransferase WaaG from Escherichia coli. Pharmaceuticals (Basel). 2022 Feb 9;15(2).
Rush JS, Parajuli P, Ruda A, Li J, Pohane AA, Zamakhaeva S, Rahman MM, Chang JC, Gogos A, Kenner CW, Lambeau G, Federle MJ, Korotkov KV, Widmalm G, Korotkova N. PplD is a de-N-acetylase of the cell wall linkage unit of streptococcal rhamnopolysaccharides. Nat Commun. 2022 Feb 1;13(1):590.
Varki A, Cummings RD, Esko JD, Stanley P, Hart GW, Aebi M, Mohnen D, Kinoshita T, Packer NH, Prestegard JH, Schnaar RL, Seeberger PH, Lebrilla CB, Liu J, Widmalm G, Prestegard JH. Oligosaccharides and Polysaccharides. . 2022;.
Chavonet E, Gaucher M, Warneys R, Bodelot A, Heintz C, Juillard A, Cournol R, Widmalm G, Bowen JK, Hamiaux C, Brisset MN, Degrave A. Search for host defense markers uncovers an apple agglutination factor corresponding with fire blight resistance. Plant Physiol. 2022 Feb 4;188(2):1350-1368.
Kupče Ē, Yong JRJ, Widmalm G, Claridge TDW. Parallel NMR Supersequences: Ten Spectra in a Single Measurement. JACS Au. 2021 Nov 22;1(11):1892-1897.
Ruda A, Widmalm G, Wohlert J. O-Methylation in Carbohydrates: An NMR and MD Simulation Study with Application to Methylcellulose. J Phys Chem B. 2021 Nov 4;125(43):11967-11979.
Plazinski W, Roslund MU, Säwén E, Engström O, Tähtinen P, Widmalm G. Tautomers of N-acetyl-d-allosamine: an NMR and computational chemistry study. Org Biomol Chem. 2021 Sep 7;19(33):7190-7201.
Gao Y, Lee J, Widmalm G, Im W. Correction to "Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Enterobacterial Common Antigen". J Phys Chem B. 2021 Aug 19;125(32):9384-9385.