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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 |
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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Women in Bioorganic Chemistry
| Women in Bioorganic Chemistry |
| Autore | Cardona Francesca |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 online resource (288 p.) |
| Soggetto topico |
Industrial chemistry and chemical engineering
Technology: general issues |
| Soggetto non controllato |
(p)ppGpp
1-deoxy-dxylulose 5-phosphate reductoisomerase (DXR) 2-C-methyl-derythritol 4-phosphate (MEP) pathway 3D molecular docking amelogenin amelogenin-derived peptides aminoproline scaffold AMR anti-cancer antibiotics anticancer activity antimicrobial antimicrobials antiproliferative activity benzamide betulinic acid biochemical studies BODIPY boron boron neutron capture therapy cancer cannabidiol chirality chiroptical cytotoxicity d-annulated steroids dental caries deoxyxylulose phosphate reductoisomerase dispirooxindoles enamel remineralisation enantiomers enzyme inhibition fluorescence probe fluorescent fosmidomycin fragment screening FT-IR spectroscopy glycosidase gold nanoparticles heterohelicene hydrazones hydroxyapatite iminosugars in vivo studies inhibition mechanism inhibitors insect trehalase integrin targeting interrupted Nazarov cyclization isoprenoid biosynthesis Jack bean α-mannosidase laser diffraction leucine-rich amelogenin peptides leukocyte integrins Lewis acid ligand design lipids liposomes mammalian trehalase molecular mechanisms multivalency n/a natural compounds neurological diseases neuroprotective effects p53/MDM2 interaction penetration enhancers pentacyclic steroids peptidomimetic synthesis persisters PET phthalimide postprandial hyperglycemia pyrene resolution screw-shaped compounds selectivity STD-NMR stratum corneum Strigol strigolactones sustainable agriculture synergistic effect terpenes thermal shift assay trehalose tyrosine-rich amelogenin peptides α-glucosidase α,α-difluorophosphonate β-galactosidase activity |
| ISBN | 3-0365-4990-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910619464603321 |
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Cardona Francesca
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| MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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