Conformational properties of α-or β-(1→ 6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments DS Patel, R Pendrill, SS Mallajosyula, G Widmalm, AD MacKerell Jr The Journal of Physical Chemistry B 118 (11), 2851-2871, 2014 | 67 | 2014 |
Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol M Chen, R Pendrill, G Widmalm, JW Brady, J Wohlert Journal of chemical theory and computation 10 (10), 4465-4479, 2014 | 61 | 2014 |
Pharmacokinetic comparison of a novel non-tobacco-based nicotine pouch (ZYN) with conventional, tobacco-based Swedish snus and American moist snuff E Lunell, K Fagerström, J Hughes, R Pendrill Nicotine and Tobacco Research 22 (10), 1757-1763, 2020 | 57 | 2020 |
Complete 1H and 13C NMR chemical shift assignments of mono-to tetrasaccharides as basis for NMR chemical shift predictions of oligosaccharides using the computer program CASPER J Rönnols, R Pendrill, C Fontana, C Hamark, TA d’Ortoli, O Engström, ... Carbohydrate research 380, 156-166, 2013 | 56 | 2013 |
Direct evidence for hydrogen bonding in glycans: a combined NMR and molecular dynamics study MD Battistel, R Pendrill, G Widmalm, DI Freedberg The Journal of Physical Chemistry B 117 (17), 4860-4869, 2013 | 52 | 2013 |
Glycan structure of a high‐mannose glycoprotein from Raman optical activity C Johannessen, R Pendrill, G Widmalm, L Hecht, LD Barron Angewandte Chemie International Edition 23 (50), 5349-5351, 2011 | 39 | 2011 |
Palladium‐Catalyzed Oxidative Arylating Carbocyclization of Allenynes: Control of Selectivity and Role of H2O T Bartholomeyzik, J Mazuela, R Pendrill, Y Deng, JE Bäckvall Angewandte Chemie 126 (33), 8840-8843, 2014 | 32 | 2014 |
Conformation and dynamics at a flexible glycosidic linkage revealed by NMR spectroscopy and molecular dynamics simulations: Analysis of β-L-Fuc p-(1→ 6)-α-D-Glc p-OMe in water … R Pendrill, E Sawen, G Widmalm The Journal of Physical Chemistry B 117 (47), 14709-14722, 2013 | 30 | 2013 |
Stochastic modeling of flexible biomolecules applied to NMR relaxation. 2. Interpretation of complex dynamics in linear oligosaccharides D Kotsyubynskyy, M Zerbetto, M Soltesova, O Engstrom, R Pendrill, ... The Journal of Physical Chemistry B 116 (50), 14541-14555, 2012 | 27 | 2012 |
NMR analysis of conformationally dependent nJC, H and nJC, C in the trisaccharide α‐L‐Rhap‐(1 → 2)[α‐L‐Rhap‐(1 → 3)]‐α‐L‐Rhap‐OMe and a site … KHM Jonsson, R Pendrill, G Widmalm Magnetic Resonance in Chemistry 49 (3), 117-124, 2011 | 26 | 2011 |
Kinetics and mechanism of the palladium-catalyzed oxidative arylating carbocyclization of allenynes T Bartholomeyzik, R Pendrill, R Lihammar, T Jiang, G Widmalm, ... Journal of the American Chemical Society 140 (1), 298-309, 2018 | 25 | 2018 |
Studying the glycan moiety of RNase B by means of Raman and Raman optical activity C Mensch, R Pendrill, G Widmalm, C Johannessen ChemPhysChem 15 (11), 2252-2254, 2014 | 18 | 2014 |
Solid-State NMR Characterization of the Molecular Conformation in Disordered Methyl α-l-Rhamnofuranoside JK Harper, D Tishler, D Richardson, J Lokvam, R Pendrill, G Widmalm The Journal of Physical Chemistry A 117 (26), 5534-5541, 2013 | 17 | 2013 |
Solution structure of mannobioses unravelled by means of Raman optical activity R Pendrill, ST Mutter, C Mensch, LD Barron, EW Blanch, PLA Popelier, ... ChemPhysChem 20 (5), 695-705, 2019 | 16 | 2019 |
Suppressing one‐bond homonuclear 13C,13C scalar couplings in the J‐HMBC NMR experiment: application to 13C site‐specifically labeled oligosaccharides R Pendrill, OW Sørensen, G Widmalm Magnetic Resonance in Chemistry 52 (3), 82-86, 2014 | 16 | 2014 |
Conformational Dynamics of a Central Trisaccharide Fragment of the LeaLex Tumor Associated Antigen Studied by NMR Spectroscopy and Molecular Dynamics … M Zaccheus, R Pendrill, TA Jackson, A Wang, FI Auzanneau, G Widmalm European Journal of Organic Chemistry 2012 (25), 4705-4715, 2012 | 16 | 2012 |
Flexibility at a glycosidic linkage revealed by molecular dynamics, stochastic modeling, and 13 C NMR spin relaxation: conformational preferences of α-l-Rha p-α-(1→ 2)-α-l-Rha … R Pendrill, O Engström, A Volpato, M Zerbetto, A Polimeno, G Widmalm Physical Chemistry Chemical Physics 18 (4), 3086-3096, 2016 | 14 | 2016 |
Glycan synthesis, structure, and dynamics: A selection R Pendrill, KHM Jonsson, G Widmalm Pure and Applied Chemistry 85 (9), 1759-1770, 2013 | 14 | 2013 |
Enantioselective binding of propranolol and analogues thereof to cellobiohydrolase Cel7A C Hamark, R Pendrill, J Landström, A Dotson Fagerström, M Sandgren, ... Chemistry–A European Journal 24 (68), 17975-17985, 2018 | 5 | 2018 |
Synthesis and structural investigation of a series of mannose-containing oligosaccharides using mass spectrometry S Daikoku, R Pendrill, Y Kanie, Y Ito, G Widmalm, O Kanie Organic & Biomolecular Chemistry 16 (2), 228-238, 2018 | 4 | 2018 |