Published in Org Lett on May 30, 2002
Developments in the Karplus equation as they relate to the NMR coupling constants of carbohydrates. Adv Carbohydr Chem Biochem (2009) 0.90
The structure and conformational behavior of sulfonium salt glycosidase inhibitors in solution: a combined quantum mechanical NMR approach. J Am Chem Soc (2004) 0.78
The structures of Escherichia coli O-polysaccharide antigens. FEMS Microbiol Rev (2006) 2.13
Hydroxymethyl group conformation in saccharides: structural dependencies of (2)J(HH), (3)J(HH), and (1)J(CH) spin-spin coupling constants. J Org Chem (2002) 1.44
Brucellosis vaccines: assessment of Brucella melitensis lipopolysaccharide rough mutants defective in core and O-polysaccharide synthesis and export. PLoS One (2008) 1.37
On the competition between water, sodium ions, and spermine in binding to DNA: a molecular dynamics computer simulation study. Biophys J (2002) 1.20
Salt-bridge dynamics control substrate-induced conformational change in the membrane transporter GlpT. J Mol Biol (2008) 1.15
EUROCarbDB: An open-access platform for glycoinformatics. Glycobiology (2010) 1.13
A molecular dynamics simulation study of oriented DNA with polyamine and sodium counterions: diffusion and averaged binding of water and cations. Nucleic Acids Res (2003) 1.11
Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics. Biophys J (2013) 1.01
Structural analysis of glycans by NMR chemical shift prediction. Anal Chem (2011) 1.01
A conformational dynamics study of alpha-l-Rhap-(1-->2)[alpha-l-Rhap-(1-->3)]-alpha-l-Rhap-OMe in solution by NMR experiments and molecular simulations. J Phys Chem B (2005) 0.99
Molecular dynamics simulations of an oligosaccharide using a force field modified for carbohydrates. Carbohydr Res (2003) 0.98
Docking and homology modeling explain inhibition of the human vesicular glutamate transporters. Protein Sci (2007) 0.98
An integrated approach to NMR spin relaxation in flexible biomolecules: application to beta-D-glucopyranosyl-(1-->6)-alpha-D-mannopyranosyl-OMe. J Chem Phys (2009) 0.96
Application of NMR, molecular simulation, and hydrodynamics to conformational analysis of trisaccharides. Biopolymers (2003) 0.94
Brucella melitensis 16M produces a mannan and other extracellular matrix components typical of a biofilm. FEMS Immunol Med Microbiol (2010) 0.94
Structural studies of the exopolysaccharide produced by Lactobacillus rhamnosus strain GG (ATCC 53103). Biomacromolecules (2002) 0.94
Sequence determination of oligosaccharides and regular polysaccharides using NMR spectroscopy and a novel Web-based version of the computer program CASPER. Carbohydr Res (2006) 0.94
A processive lipid glycosyltransferase in the small human pathogen Mycoplasma pneumoniae: involvement in host immune response. Mol Microbiol (2007) 0.93
Structural analysis of the O-antigen polysaccharide from Escherichia coli O152. Carbohydr Res (2005) 0.92
Molecular dynamics simulation study of oriented polyamine- and Na-DNA: sequence specific interactions and effects on DNA structure. Biopolymers (2004) 0.91
Partial atomic charges and their impact on the free energy of solvation. J Comput Chem (2012) 0.91
The epitopic and structural characterization of Brucella suis biovar 2 O-polysaccharide demonstrates the existence of a new M-negative C-negative smooth Brucella serovar. PLoS One (2013) 0.90
Glycosyltransferase functions of E. coli O-antigens. Glycobiology (2009) 0.89
Conformational flexibility and dynamics of two (1-->6)-linked disaccharides related to an oligosaccharide epitope expressed on malignant tumour cells. Chemistry (2009) 0.88
Complete (1)H and (13)C NMR chemical shift assignments of mono-, di-, and trisaccharides as basis for NMR chemical shift predictions of polysaccharides using the computer program casper. Carbohydr Res (2011) 0.88
Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments. J Phys Chem B (2014) 0.88
Methyl α-l-rhamnosyl-(1→2)[α-l-rhamnosyl-(1→3)]-α-l-rhamnoside penta-hydrate: synchrotron study. Acta Crystallogr Sect E Struct Rep Online (2012) 0.87
Chemoenzymatic synthesis of O-mannosylpeptides in solution and on solid phase. J Am Chem Soc (2012) 0.86
A molecular dynamics simulation study of polyamine- and sodium-DNA. Interplay between polyamine binding and DNA structure. Eur Biophys J (2004) 0.86
Methyl 2-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranoside. Acta Crystallogr C (2002) 0.86
Methyl 3-O-α-l-fucopyranosyl α-d-gal-acto-pyran-oside: a synchrotron study. Acta Crystallogr Sect E Struct Rep Online (2012) 0.86
Structural studies of the O-antigenic polysaccharide from Plesiomonas shigelloides strain AM36565. Carbohydr Res (2011) 0.86
Dynamics of the Escherichia coli O91 O-antigen polysaccharide in solution as studied by carbon-13 NMR relaxation. Biomacromolecules (2004) 0.86
Solution structure of a pentasaccharide representing the repeating unit of the O-antigen polysaccharide from Escherichia coli O142: NMR spectroscopy and molecular simulation studies. Biopolymers (2002) 0.85
Conformational properties of methyl β-maltoside and methyl α- and β-cellobioside disaccharides. J Phys Chem B (2010) 0.85
Methyl 3-O-beta-L-fucopyranosyl alpha-D-glucopyranoside trihydrate. Acta Crystallogr C (2003) 0.85
Molecular interaction model for the C1B domain of protein kinase C-gamma in the complex with its activator phorbol-12-myristate-13-acetate in water solution and lipid bilayer. J Med Chem (2004) 0.84
Methyl 4-O-benzoyl-2,3-O-isopropylidene-alpha-L-rhamnopyranoside. Acta Crystallogr C (2006) 0.84
Molecular dynamics simulation study of glycerol-water liquid mixtures. J Phys Chem B (2011) 0.84
Methyl 2-O-beta-L-fucopyranosyl alpha-D-glucopyranoside monohydrate: a synchrotron study. Acta Crystallogr C (2008) 0.84
Transient hydrogen bonding in uniformly ¹³C,¹⁵N-labeled carbohydrates in water. Biopolymers (2011) 0.83
NMR analysis of conformationally dependent (n)J(C, H) and (n)J(C, C) in the trisaccharide α-L-Rhap-(1 → 2)[α-L-Rhap-(1 → 3)]-α-L-Rhap-OMe and a site-specifically labeled isotopologue thereof. Magn Reson Chem (2011) 0.83
Sorbents for CO(2) capture from flue gas--aspects from materials and theoretical chemistry. Nanoscale (2010) 0.83
Complete (1)H and (13)C NMR chemical shift assignments of mono- to tetrasaccharides as basis for NMR chemical shift predictions of oligosaccharides using the computer program CASPER. Carbohydr Res (2013) 0.82
Structural studies of an exopolysaccharide produced by Streptococcus thermophilus THS. Biomacromolecules (2005) 0.82
Direct evidence for hydrogen bonding in glycans: a combined NMR and molecular dynamics study. J Phys Chem B (2013) 0.82
Caffeine and sugars interact in aqueous solutions: a simulation and NMR study. J Phys Chem B (2012) 0.81
Analysis of a series of isomeric oligosaccharides by energy-resolved mass spectrometry: a challenge on homobranched trisaccharides. Rapid Commun Mass Spectrom (2009) 0.81
Electrostatic background of chromatin fiber stretching. J Biomol Struct Dyn (2004) 0.81
Stochastic modeling of flexible biomolecules applied to NMR relaxation. 2. Interpretation of complex dynamics in linear oligosaccharides. J Phys Chem B (2012) 0.81
NaKA sorbents with high CO(2)-over-N(2) selectivity and high capacity to adsorb CO(2). Chem Commun (Camb) (2010) 0.81
Genetic and structural relationships of Salmonella O55 and Escherichia coli O103 O-antigens and identification of a 3-hydroxybutanoyltransferase gene involved in the synthesis of a Fuc3N derivative. Glycobiology (2010) 0.81
On the effect of low-energy electron induced DNA strand break in aqueous solution: a theoretical study indicating guanine as a weak link in DNA. J Am Chem Soc (2008) 0.81
Structural determination of the O-antigenic polysaccharide from the verocytotoxin-producing Escherichia coli O176. Carbohydr Res (2008) 0.80
Small molecules containing hetero-bicyclic ring systems compete with UDP-Glc for binding to WaaG glycosyltransferase. Glycoconj J (2012) 0.80
Lipopolysaccharide membrane building and simulation. Methods Mol Biol (2015) 0.80
Synthesis of cyclic beta-glucan using laminarinase 16A glycosynthase mutant from the basidiomycete Phanerochaete chrysosporium. J Am Chem Soc (2010) 0.80
Systematic coarse-graining of molecular models by the Newton inversion method. Faraday Discuss (2010) 0.80
Glucose oxidase from Penicillium amagasakiense: characterization of the transition state of its denaturation from molecular dynamics simulations. Proteins (2014) 0.80
Serotype-conversion in Shigella flexneri: identification of a novel bacteriophage, Sf101, from a serotype 7a strain. BMC Genomics (2014) 0.80
Exploration of the active site of β4GalT7: modifications of the aglycon of aromatic xylosides. Org Biomol Chem (2015) 0.79
Glycan flexibility: insights into nanosecond dynamics from a microsecond molecular dynamics simulation explaining an unusual nuclear Overhauser effect. Carbohydr Res (2009) 0.79
Conformational analysis of a tetrasaccharide based on NMR spectroscopy and molecular dynamics simulations. J Phys Chem B (2005) 0.79
Influence of structure of human, rat, and bovine serum albumins on binding properties of photoactive drug hypericin. Biopolymers (2002) 0.79
Bifurcated hydrogen bonding and asymmetric fluctuations in a carbohydrate crystal studied via X-ray crystallography and computational analysis. J Phys Chem B (2013) 0.79
Structural elucidation of the O-antigenic polysaccharide from Escherichia coli O175. Carbohydr Res (2010) 0.79
Structural determination of the O-antigenic polysaccharide from the Shiga toxin-producing Escherichia coli O171. Carbohydr Res (2006) 0.79
Boolean network-based model of the Bcl-2 family mediated MOMP regulation. Theor Biol Med Model (2013) 0.79
Structural analysis of the exopolysaccharide produced by Streptococcus thermophilus ST1 solely by NMR spectroscopy. J Biomol NMR (2010) 0.79
Synthesis, conformation and biology of naphthoxylosides. Bioorg Med Chem (2011) 0.79
Glycan structure of a high-mannose glycoprotein from Raman optical activity. Angew Chem Int Ed Engl (2011) 0.79
Molecular dynamics simulations of membrane-sugar interactions. J Phys Chem B (2013) 0.78
Structural studies of the exopolysaccharide produced by Propionibacterium freudenreichiissp. shermanii JS. Biomacromolecules (2005) 0.78
Structure of the phenol-soluble polysaccharide from Shewanella putrefaciens strain A6. Carbohydr Res (2002) 0.78
Methyl 3-O-α-d-mannopyranosyl β-d-glucopyran-oside tetra-hydrate. Acta Crystallogr Sect E Struct Rep Online (2008) 0.78
Interaction of a Salmonella enteritidis O-antigen octasaccharide with the phage P22 tailspike protein by NMR spectroscopy and docking studies. Glycoconj J (2007) 0.78
Induced ice melting by the snow flea antifreeze protein from molecular dynamics simulations. J Phys Chem B (2014) 0.78
Multiscale simulations of human telomeric G-quadruplex DNA. J Phys Chem B (2014) 0.78
Stochastic modeling of flexible biomolecules applied to NMR relaxation. I. Internal dynamics of cyclodextrins: γ-cyclodextrin as a case study. J Phys Chem B (2012) 0.78
Structure of an acidic polysaccharide from the agar-decomposing marine bacterium Pseudoalteromonas atlantica strain IAM 14165 containing 5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic acid. Carbohydr Res (2005) 0.78
Molecular dynamics simulation of 8-oxoguanine containing DNA fragments reveals altered hydration and ion binding patterns. J Phys Chem B (2010) 0.78
NMR studies of membranes composed of glycolipids and phospholipids. Biochim Biophys Acta (2007) 0.78
Hydrogen abstraction from deoxyribose by a neighbouring uracil-5-yl radical. Phys Chem Chem Phys (2007) 0.78
Crystal structure of a cyclic enterobacterial common antigen. Angew Chem Int Ed Engl (2003) 0.78
Resolving overlap in two-dimensional NMR spectra: nuclear Overhauser effects in a polysaccharide. Magn Reson Chem (2005) 0.78
NMR structure analysis of uniformly 13C-labeled carbohydrates. J Biomol NMR (2014) 0.77
Theoretical study of the human DNA repair protein HOGG1 activity. J Phys Chem A (2005) 0.77
Characterization of the interaction of hypericin with protein kinase C in U-87 MG human glioma cells. Photochem Photobiol (2006) 0.77
Structural studies of the O-antigenic polysaccharide from Escherichia coli O177. Carbohydr Res (2011) 0.77
Molecular dynamics simulations and NMR spectroscopy studies of trehalose-lipid bilayer systems. Phys Chem Chem Phys (2015) 0.77
Structural and immunochemical relationship between the O-antigenic polysaccharides from the enteroaggregative Escherichia coli strain 396/C-1 and Escherichia coli O126. Carbohydr Res (2004) 0.77
Molecular conformations in the pentasaccharide LNF-1 derived from NMR spectroscopy and molecular dynamics simulations. J Phys Chem B (2011) 0.77
Studies on the conformational flexibility of α-L-rhamnose-containing oligosaccharides using 13C-site-specific labeling, NMR spectroscopy and molecular simulations: implications for the three-dimensional structure of bacterial rhamnan polysaccharides. Org Biomol Chem (2012) 0.77
Glycoengineering of host mimicking type-2 LacNAc polymers and Lewis X antigens on bacterial cell surfaces. Mol Microbiol (2012) 0.77
Structural studies of the O-antigen polysaccharide from Escherichia coli O115 and biosynthetic aspects thereof. Glycobiology (2012) 0.77
Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations. Phys Chem Chem Phys (2016) 0.77
Structural studies of the O-antigen polysaccharide from Escherichia coli TD2158 having O18 serogroup specificity and aspects of its interaction with the tailspike endoglycosidase of the infecting bacteriophage HK620. Carbohydr Res (2012) 0.77
A theoretical spin relaxation and molecular dynamics simulation study of the Gd(H2O)9(3+) complex. Phys Chem Chem Phys (2009) 0.77