Three-dimensional potential energy surface of selected carbohydrates' CH/π dispersion interactions calculated by high-level quantum mechanical methods.

scientific article published on 8 April 2011

Three-dimensional potential energy surface of selected carbohydrates' CH/π dispersion interactions calculated by high-level quantum mechanical methods. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1002/CHEM.201002876
P698PubMed publication ID21480404

P50authorJaroslav KočaQ39934705
Vojtech SpiwokQ43018276
Stanislav KozmonQ57028311
P2093author name stringRadek Matuška
P2860cites workDensity-functional exchange-energy approximation with correct asymptotic behaviorQ21709057
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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsQ29039690
Calorimetric measurement of the CH/pi interaction involved in the molecular recognition of saccharides by aromatic compounds.Q30366919
Molecular recognition of saccharides by proteins. Insights on the origin of the carbohydrate-aromatic interactionsQ30989973
Accurate description of van der Waals complexes by density functional theory including empirical correctionsQ34329893
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On the importance of carbohydrate-aromatic interactions for the molecular recognition of oligosaccharides by proteins: NMR studies of the structure and binding affinity of AcAMP2-like peptides with non-natural naphthyl and fluoroaromatic residues.Q38320004
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculationsQ41360559
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
DFT study of alpha- and beta-D-mannopyranose at the B3LYP/6-311++G** levelQ45244288
Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complexQ46069386
Aromatic-carbohydrate interactions: an NMR and computational study of model systems.Q46594640
Semiempirical GGA-type density functional constructed with a long-range dispersion correction.Q51629241
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Prediction of glycolipid-binding domains from the amino acid sequence of lipid raft-associated proteins: application to HpaA, a protein involved in the adhesion of Helicobacter pylori to gastrointestinal cells.Q51934000
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The minimal amyloid-forming fragment of the islet amyloid polypeptide is a glycolipid-binding domainQ57374332
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Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatmentQ58445664
P433issue20
P407language of work or nameEnglishQ1860
P921main subjectpotential energyQ155640
P304page(s)5680-5690
P577publication date2011-04-08
P1433published inChemistry—A European JournalQ898737
P1476titleThree-dimensional potential energy surface of selected carbohydrates' CH/π dispersion interactions calculated by high-level quantum mechanical methods.
P478volume17

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cites work (P2860)
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