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Cholinesterase Research
| Cholinesterase Research |
| Autore | Korabecny Jan |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (223 p.) |
| Soggetto topico | Medicine and Nursing |
| Soggetto non controllato |
acetylcholinesterase
acetylcholinesterase inhibitor acetylcholinesterase inhibitors alkaloids Alzheimer disease Alzheimer's disease Amaryllidaceae antioxidants behavior blood-brain barrier crossing bone healing butyrylcholinesterase butyrylcholinesterase inhibitors carltonine A-C catalysis cholinesterase dementia docking docking studies donepezil fluorene hemostasis hydrolysis in silico in vitro inhibition MD simulations molecular dynamics molecular modeling molecular modelling molecular recognition multi-target directed ligands N-methyl-d-aspartate receptor n/a Narcissus pseudonarcissus cv. Carlton neutron scattering nutraceuticals organophosphates organophosphorus organophosphorus nerve agents osmotic stress osseointegration oxime pharmacodynamics phytochemicals reactivation reactivation process reactivators slow-binding inhibition transition state analog ventilation zebrafish |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557764703321 |
Korabecny Jan
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Gulliver in the Country of Lilliput : An Interplay of Noncovalent Interactions
| Gulliver in the Country of Lilliput : An Interplay of Noncovalent Interactions |
| Autore | Shenderovich Ilya |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (216 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
31P NMR spectroscopy
activation energy adenine aromaticity azo dyes Bader charge analysis benchmark carboxyl group computation of low-frequency Raman spectra condensed matter confinement conventional and non-conventional H-bonds CPMD crystal engineering density functional theory deuteration DFT dispersion electron charge shifts empirical Grimme corrections external electric field first-principle calculation gas phase halogen bond halogen bonding heavy drugs histamine receptor hydrogen bond hydrogen bonding hydrogen bonds IINS interfaces and surfaces IR IR spectroscopy ketone-alcohol complexes lattice energy of organic salts Lewis acid-Lewis base interactions molecular dynamics molecular recognition n/a NMR non-covalent interactions phosphine oxide pinacolone pnicogen bond polarizable continuum model proton dynamics proton transfer QTAIM Raman reaction field Reaction mechanism receptor activation solid-state NMR solvent effect spectral correlations substituent effect tetrel bond transition state structure triel bond vibrational spectroscopy |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Gulliver in the Country of Lilliput |
| Record Nr. | UNINA-9910557117203321 |
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Shenderovich Ilya
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular Modeling in Drug Design
| Molecular Modeling in Drug Design |
| Autore | Wade Rebecca |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 online resource (220 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
adenosine
adenosine receptor adenosine receptors adhesion aggregation all-atom molecular dynamics simulation allosterism Alzheimer's disease amyloid fibrils AR ligands artificial intelligence AutoGrid binding affinity biophenols boron cluster cosolvent molecular dynamics de novo design deep learning density-based clustering docking drug design drug discovery dynamic light scattering enzymatic assays EphA2-ephrin A1 extracellular loops FimH fragment screening grid maps human ecto-5?-nucleotidase hyperlipidemia in silico screening interaction energy ligand binding ligand-protofiber interactions mechanical stability metadynamics method development molecular docking molecular dynamics molecular dynamics simulation molecular modeling molecular recognition natural compounds neural networks PPI inhibition probe energies promiscuous mechanism property prediction protein protein interactions protein-peptide interactions proteins quantitative structure-activity relationship (QSAR) quantitative structure-property prediction (QSPR) rational drug design resultant dipole moment scoring function solvent effect squalene synthase (SQS) steered molecular dynamics structure-based drug design target-focused pharmacophore modeling Traditional Chinese Medicine turbidimetry virtual screening |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346839403321 |
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Wade Rebecca
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Supramolecular Chemistry in the 3rd Millennium
| Supramolecular Chemistry in the 3rd Millennium |
| Autore | Housecroft Catherine |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (263 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
4-pyrrolidinopyridinium
anion binding antisymmetric exchange bilayer membranes binary solid calixarenes capsules carboxylates catalysis catalysis regulation chirality chloride receptor chlorido ligand displacement chloropyrazin-2-amine chloropyrazine co-crystal cocrystal synthesis cocrystallization mechanism complementarity conformational polymorphism coordination cage coordination chemistry coordination clusters coordination-driven self-assembly copper chloride complexes copper complexes copper halide copper(II) complexes crown-ethers crystal engineering crystal structure cucurbit[7]uril cyclotricatechylene desorption kinetics DFT calculations dipolar interaction EPR spectroscopy H-bonding pattern halogen bond helicate Hirshfeld surfaces host-guest chemistry host-guest interaction hydrogen bond hydrogen bonding hydrogen bonds hydroquinone intermolecular contacts ion-channels isotropic exchange ligands luminescence magnetic susceptibility manganese metal ions metal-organic cage metal-organic frameworks metalla-assemblies metallosupramolecular molecular electrostatic potential molecular magnetism molecular recognition molecular tecton multicomponent cocrystal N,N',N",N‴-Tetraisopropylpyrophosphoramide n/a network structure orthogonality porous material pyrazine pyrazolato ligands pyrophosphoramide redox switch Schiff base ligands self-assembly solvatochromism structure supramolecular assembly supramolecular chemistry supramolecular motifs supramolecular structure switchable system synthons tetrazole ligands uranium(VI) urea hydrolysis vapour sorption X-ray crystallography X-ray diffraction σ-hole |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557360903321 |
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Housecroft Catherine
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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