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Advances in Chemical Crystallography: A Themed Issue Honoring Professor Alexandra M. Z. Slawin on the Occasion of Her 60th Birthday
| Advances in Chemical Crystallography: A Themed Issue Honoring Professor Alexandra M. Z. Slawin on the Occasion of Her 60th Birthday |
| Autore | Harrison William T. A |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (214 p.) |
| Soggetto topico |
Research & information: general
Chemistry Organic chemistry |
| Soggetto non controllato |
molecular magnetism
supramolecular chemistry heterometallic clusters magnetometry EPR spectroscopy N-Substituted Benzamides Woollins’ reagent selenation reagent reduction reagent single crystal X-ray structures DFT 3d metal complex benchmark hydricity 2D Cu-MOF square grid structure Click reaction Knoevenagel reaction green chemistry titanium(IV) oxo-clusters band gap modification multinuclear NMR ESI-MS studies photoluminescence perophoramidine natural product Claisen rearrangement indoloquinoline intramolecular cyclization X-ray structure isothiourea ammonium enolate aryloxide quinone methide ester functionalization 1,6-conjugate addition layered perovskite bandgap tuning azetidinium Ruddlesden–Popper structure-property relations amide groups isomers late-transition metals P-ligands phenols secondary interactions single crystal X-ray crystallography MOF calcium MOF electrochemistry scXRD VTXRD bioMOF bond activation low oxidation state complexes magnesium metallacycles ring system X-ray crystallography peri-substitution arsenic organophosphorus pnictine PDS PELDOR DEER nitroxide spin label Comparative DEER Analyzer mtsslSuite MMM oxazoline Wittig rearrangement thiophene thieno[2,3-c]pyrrolone |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Advances in Chemical Crystallography |
| Record Nr. | UNINA-9910576882403321 |
Harrison William T. A
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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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 electronic resource (223 p.) |
| Soggetto topico | Medicine |
| Soggetto non controllato |
Amaryllidaceae
Narcissus pseudonarcissus cv. Carlton alkaloids carltonine A-C Alzheimer's disease butyrylcholinesterase docking studies organophosphorus nerve agents oxime cholinesterase reactivation ventilation pharmacodynamics blood-brain barrier crossing acetylcholinesterase inhibitors bone healing osseointegration donepezil hemostasis acetylcholinesterase inhibitor dementia zebrafish behavior Alzheimer disease antioxidants butyrylcholinesterase inhibitors molecular modelling nutraceuticals phytochemicals acetylcholinesterase slow-binding inhibition transition state analog organophosphorus osmotic stress neutron scattering molecular dynamics MD simulations fluorene in vitro in silico multi-target directed ligands N-methyl-d-aspartate receptor molecular modeling reactivators reactivation process organophosphates docking hydrolysis molecular recognition catalysis inhibition |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557764703321 |
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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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Recent Developments on Protein–Ligand Interactions : From Structure, Function to Applications
| Recent Developments on Protein–Ligand Interactions : From Structure, Function to Applications |
| Autore | de Brevern Alexandre G |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (282 p.) |
| Soggetto topico |
Research & information: general
Biology, life sciences Biochemistry |
| Soggetto non controllato |
pimaricin thioesterase
protein-substrate interaction macrocyclization molecular dynamics (MD) simulation pre-reaction state folate folate receptor peptide conjugation click reaction biolayer interferometry acetylcholinesterase resistance organophosphorus pesticides molecular modeling lepidopterous insects conserved patterns similarity 3D-patterns epigenetics protein-RNA interaction RRM domain inhibitor NMR fragment-based screening TDP-43 galectin-1 gulopyranosides fluorescence polarization benzamide selective phospholipase C gamma 1 SLP76 virtual screening pharmacophore mapping molecular docking molecular dynamics caspase inhibition protein-ligand binding free energy Monte Carlo sampling docking and scoring molecular conformational sampling procollagen C-proteinase enhancer-1 glycosaminoglycans computational analysis of protein-glycosaminoglycan interactions calcium ions fragment-based docking protein–ligand analysis drug discovery and design structure–activity relationships bioremediation High Energy Molecules HMX protein design nitroreductase flavoprotein substrate specificity pharmacophore secretoglobin odorant-binding protein chemical communication pheromone N-phenyl-1-naphthylamine in silico docking protein–ligand interactions 2D interaction maps ligand-binding assays protein-ligand complexes dataset clustering structural alignment refinement PD-1/PD-L1 immune checkpoint inhibitors biphenyl-conjugated bromotyrosine amino acid conjugation amino-X in silico simulation IC50 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti |
Recent Developments on Protein–Ligand Interactions
Recent Developments on ProteinâLigand Interactions |
| Record Nr. | UNINA-9910566462703321 |
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de Brevern Alexandre G
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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