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Computational study of inclusion complex of l-Glutamine/beta-Cycldextrin: Electronic and intermolecular interactions investigations

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Enantioselective Recognition of Aliphatic Amino Acids by β‐Cyclodextrin Derivatives Bearing Aromatic Organoselenium Moieties on the Primary or Secondary Side
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Multiwfn: A multifunctional wavefunction analyzer
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Natural bond orbital methods
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Cyclodextrin Technology
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Computational design of cucurbituril-acene hybrids for the optical detection of cesium ions: DFT and TD-DFT studies
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DFT-B3LYP study of interactions between host biphenyl-1-aza-18-crown-6 ether derivatives and guest Cd2+: NBO, NEDA, and QTAIM analyses
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Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method
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Trapping of organophosphorus chemical nerve agents by pillar[5]arene: A DFT, AIM, NCI and EDA analysis
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A DFT study of inclusion complexes of the antituberculosis drugs pyrazinamide and isoniazid with cucurbit[7]uril
inferredcites →https://doi.org/10.1016/j.crci.2012.11.008openalex-snapshot
Host-guest inclusion complex between β-cyclodextrin and paeonol: A theoretical approach
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CO2-adsorption promoted CH4-desorption onto low-rank coal vitrinite by density functional theory including dispersion correction (DFT-D3)
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Intermolecular interaction in nucleobases and dimethyl sulfoxide/water molecules: A DFT, NBO, AIM and NCI analysis
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Nature of bonding and cooperativity in linear DMSO clusters: A DFT, AIM and NCI analysis
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Evidences for complexations of β-cyclodextrin with some amino acids by 1 H NMR, surface tension, volumetric investigations and XRD
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Density functional theory study on the dihydrogen bond cooperativity in the growth behavior of dimethyl sulfoxide clusters
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Electronic structure, spectral characteristics and physicochemical properties of linear, branched and cyclic alkyl group substituted 1-alkyl-3-butylimidazolium cation based ionic liquids
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Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine
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Effects of donor–acceptor groups on the structural and electronic properties of 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
inferredcites →https://doi.org/10.1016/j.theochem.2005.10.037openalex-snapshot
Strong intramolecular hydrogen bond in triformylmethane ab-initio, AIM and NBO study
inferredcites →https://doi.org/10.1016/s0022-2860(00)00863-2openalex-snapshot
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inferredcites →https://doi.org/10.1016/s0026-895x(25)09065-0openalex-snapshot
L-proline activates glutamate and glycine receptors in cultured rat dorsal horn neurons.
inferredcites →https://doi.org/10.1021/acs.jpca.7b02238openalex-snapshot
Host–Guest Interactions Accompanying the Encapsulation of 1,4-Diazabicyclo[2.2.2]octane within endo-Functionalized Macrocycles
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inferredcites →https://doi.org/10.1021/cr00088a005openalex-snapshot
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
inferredcites →https://doi.org/10.1021/ja00364a005openalex-snapshot
Absolute hardness: companion parameter to absolute electronegativity
inferredcites →https://doi.org/10.1021/ja983494xopenalex-snapshot
Electrophilicity Index
inferredcites →https://doi.org/10.1039/b314148aopenalex-snapshot
First local minimum of the formic acid dimer exhibits simultaneously red-shifted O–H⋯O and improper blue-shifted C–H⋯O hydrogen bonds
inferredcites →https://doi.org/10.1039/b810189bopenalex-snapshot
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
inferredcites →https://doi.org/10.1039/c3oc90002aopenalex-snapshot
Supramolecular chemistry
inferredcites →https://doi.org/10.1039/c4cc06722copenalex-snapshot
Using dispersion-corrected density functional theory to understand supramolecular binding thermodynamics
inferredcites →https://doi.org/10.1063/1.2834918openalex-snapshot
Systematic optimization of long-range corrected hybrid density functionals
inferredcites →https://doi.org/10.1063/1.436185openalex-snapshot
Electronegativity: The density functional viewpoint
inferredcites →https://doi.org/10.1063/1.449360openalex-snapshot
Natural localized molecular orbitals
inferredcites →https://doi.org/10.1063/1.449486openalex-snapshot
Natural population analysis
inferredcites →https://doi.org/10.1063/1.472902openalex-snapshot
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?
inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
inferredcites →https://doi.org/10.1111/j.1474-9726.2005.00152.xopenalex-snapshot
Methionine‐deficient diet extends mouse lifespan, slows immune and lens aging, alters glucose, T4, IGF‐I and insulin levels, and increases hepatocyte MIF levels and stress resistance
inferredcites →https://doi.org/10.1111/j.1753-4887.1990.tb02967.xopenalex-snapshot
Is Glutamine a Conditionally Essential Amino Acid?
inferredcites →https://doi.org/10.1134/s0030400x13040073openalex-snapshot
FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole
inferredcites →https://doi.org/10.1142/8630openalex-snapshot
Cyclodextrin Chemistry
inferredcites →https://doi.org/10.1152/ajpcell.1998.274.4.c1101openalex-snapshot
Glutamine transport by the blood-brain barrier: a possible mechanism for nitrogen removal
inferredcites →https://doi.org/10.1186/s13065-015-0100-9openalex-snapshot
Novel enaminone derived from thieno [2,3-b] thiene: Synthesis, x-ray crystal structure, HOMO, LUMO, NBO analyses and biological activity
inferredcites →https://doi.org/10.4103/0975-1483.90234openalex-snapshot
Preparation and Characterization of Pioglitazone Cyclodextrin Inclusion Complexes

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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