Stacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods

scientific article

Stacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods is …
instance of (P31):
scholarly articleQ13442814

External links are
P819ADS bibcode2012PLoSO...746032W
P356DOI10.1371/JOURNAL.PONE.0046032
P932PMC publication ID3466270
P698PubMed publication ID23056230
P5875ResearchGate publication ID232232817

P50authorJaroslav KočaQ39934705
Sushil Kumar MishraQ57028297
Stanislav KozmonQ57028311
Michaela WimmerováQ28050796
P2093author name stringJan Komárek
Ivona Nečasová
P2860cites workAnimal glycosphingolipids as membrane attachment sites for bacteriaQ38686680
Intramolecular carbohydrate-aromatic interactions and intermolecular van der Waals interactions enhance the molecular recognition ability of GM1 glycomimetics for cholera toxinQ42636347
Role of aromatic rings in the molecular recognition of aminoglycoside antibiotics: implications for drug design.Q42941664
Carbohydrate-aromatic interactions: the role of curvature on XH...pi interactionsQ43135469
Enthalpic nature of the CH/pi interaction involved in the recognition of carbohydrates by aromatic compounds, confirmed by a novel interplay of NMR, calorimetry, and theoretical calculationsQ43237962
Evaluation of silica gel-immobilized phosphorylcholine columns for size exclusion chromatography and their application in the analysis of the subunit structures of fish-egg lectins.Q43254641
Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.Q43665214
The occurrence of C--H...O hydrogen bonds in alpha-helices and helix termini in globular proteinsQ44998319
Role of CH/pi interactions in substrate binding by Escherichia coli beta-galactosidase.Q45036798
Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complexQ46069386
Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactionsQ46268638
Controlled aggregation of adenine by sugars: physicochemical studies, molecular modelling simulations of sugar-aromatic CH-pi stacking interactions, and biological significance.Q46606146
The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion correctionsQ46606154
Purification, characterization, cDNA cloning, and expression of asialofetuin-binding C-type lectin from eggs of shishamo smelt (Osmerus [Spirinchus] lanceolatus).Q46660629
Three-dimensional potential energy surface of selected carbohydrates' CH/π dispersion interactions calculated by high-level quantum mechanical methods.Q51608376
Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes.Q51626007
Semiempirical GGA-type density functional constructed with a long-range dispersion correction.Q51629241
More hydrogen bonds for the (structural) biologist.Q55035212
Highly Polar Carbohydrates Stack onto DNA Duplexes via CH/π InteractionsQ58621200
C-H...pi-interactions in proteinsQ73598429
Control of Virulence and Pathogenicity Genes of Ralstonia Solanacearum by an Elaborate Sensory NetworkQ77149164
Glycobiology: Toward Understanding the Function of SugarsQ77646225
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximationQ77973226
Biology and epidemiology of bacterial wilt caused by pseudomonas solanacearumQ81274475
Coming of age: carbohydrates and immunityQ81342884
Quantification of binding affinities of essential sugars with a tryptophan analogue and the ubiquitous role of C-H···π interactionsQ83519250
Chiral diaminopyrrolic receptors for selective recognition of mannosides, part 2: a 3D view of the recognition modes by X-ray, NMR spectroscopy, and molecular modelingQ83612673
Characteristics of X-H···π interactions: ab initio and QTAIM studiesQ83860691
A C-Glycosylflavone from Piper ossanum, a Compound Conformationally Controlled by CH/π and Other Weak Intramolecular InteractionsQ85109303
Density-functional exchange-energy approximation with correct asymptotic behaviorQ21709057
Density-functional approximation for the correlation energy of the inhomogeneous electron gasQ27440259
C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivityQ27639618
Structural basis for oligosaccharide-mediated adhesion of Pseudomonas aeruginosa in the lungs of cystic fibrosis patientsQ27639908
Carbohydrate binding sites in Candida albicans exo-β-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entranceQ27664685
Size-Distribution Analysis of Macromolecules by Sedimentation Velocity Ultracentrifugation and Lamm Equation ModelingQ27860847
Immune recognition. A new receptor for beta-glucansQ28215606
Structural basis of lectin-carbohydrate recognitionQ28290152
Molecular recognition of saccharides by proteins. Insights on the origin of the carbohydrate-aromatic interactionsQ30989973
Strength of the Calpha H..O hydrogen bond of amino acid residuesQ31848242
Relevance of weak hydrogen bonds in the conformation of organic compounds and bioconjugates: evidence from recent experimental data and high-level ab initio MO calculationsQ33605180
Zanamivir and oseltamivir: two new options for the treatment and prevention of influenzaQ34229084
Accurate description of van der Waals complexes by density functional theory including empirical correctionsQ34329893
GLYCAM06: a generalizable biomolecular force field. CarbohydratesQ34686342
Altered glycosylation in inflammatory bowel disease: a possible role in cancer developmentQ35160089
Role of glycosylation in developmentQ35799981
Hevein domains: an attractive model to study carbohydrate-protein interactions at atomic resolutionQ36496023
Non-covalent interactions in biomacromolecules.Q36959943
Structural glycobiology: a game of snakes and laddersQ37129248
Lysosomal storage diseasesQ37285237
A simple model system for the study of carbohydrate--aromatic interactionsQ38304550
The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucanQ38325706
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue10
P407language of work or nameEnglishQ1860
P304page(s)e46032
P577publication date2012-10-08
P1433published inPLOS OneQ564954
P1476titleStacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods
P478volume7

Reverse relations

cites work (P2860)
Q58061110A combined computational-experimental approach to define the structural origin of antibody recognition of sialyl-Tn, a tumor-associated carbohydrate antigen
Q27336421Carbohydrate-Aromatic Interactions in Proteins
Q38891513Cell wall glycopolymers of Firmicutes and their role as nonprotein adhesins
Q38297777Cello-oligomer-binding dynamics and directionality in family 4 carbohydrate-binding modules.
Q90201271Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase
Q35922181Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors
Q40164438DNA-protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar.
Q27679801Deciphering the Glycan Preference of Bacterial Lectins by Glycan Array and Molecular Docking with Validation by Microcalorimetry and Crystallography
Q36407452Dual modes of membrane binding direct pore formation by Streptolysin O.
Q57982180Effect of Noncanonical Amino Acids on Protein-Carbohydrate Interactions: Structure, Dynamics, and Carbohydrate Affinity of a Lectin Engineered with Fluorinated Tryptophan Analogs
Q47139893Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL.
Q33819308Molecular Simulations of Carbohydrates with a Fucose-Binding Burkholderia ambifaria Lectin Suggest Modulation by Surface Residues Outside the Fucose-Binding Pocket
Q50974772PGluS: prediction of protein S-glutathionylation sites with multiple features and analysis.
Q42107113Quantum Mechanics Approaches to Drug Research in the Era of Structural Chemogenomics
Q27698229Structural insights into Aspergillus fumigatus lectin specificity: AFL binding sites are functionally non-equivalent
Q27700862The sweet quartet: Binding of fucose to the norovirus capsid
Q48593638Three-dimensional representations of complex carbohydrates and polysaccharides--SweetUnityMol: a video game-based computer graphic software

Search more.