Info
- Utilizzare la checkbox di selezione a fianco di ciascun documento per attivare le funzionalità di stampa, invio email, download nei formati disponibili del (i) record.
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 electronic resource (220 p.) |
| Soggetto non controllato |
metadynamics
natural compounds virtual screening probe energies molecular dynamics simulation human ecto-5?-nucleotidase neural networks quantitative structure-activity relationship (QSAR) artificial intelligence allosterism in silico screening drug discovery amyloid fibrils mechanical stability adenosine receptors adenosine receptor ligand binding promiscuous mechanism AutoGrid dynamic light scattering resultant dipole moment density-based clustering Alzheimer’s disease drug design biophenols enzymatic assays all-atom molecular dynamics simulation fragment screening adenosine docking molecular docking cosolvent molecular dynamics turbidimetry squalene synthase (SQS) molecular recognition protein-peptide interactions extracellular loops FimH binding affinity rational drug design de novo design hyperlipidemia AR ligands aggregation property prediction PPI inhibition deep learning proteins quantitative structure-property prediction (QSPR) protein protein interactions boron cluster target-focused pharmacophore modeling ligand–protofiber interactions structure-based drug design scoring function grid maps solvent effect adhesion molecular dynamics Traditional Chinese Medicine steered molecular dynamics interaction energy EphA2-ephrin A1 molecular modeling method development |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346839403321 |
Wade Rebecca
|
||
| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Women in Bioorganic Chemistry
| Women in Bioorganic Chemistry |
| Autore | Cardona Francesca |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (288 p.) |
| Soggetto topico |
Technology: general issues
Chemical engineering |
| Soggetto non controllato |
antibiotics
biochemical studies iminosugars inhibitors insect trehalase trehalose in vivo studies mammalian trehalase natural compounds selectivity interrupted Nazarov cyclization pentacyclic steroids antiproliferative activity d-annulated steroids Lewis acid dental caries enamel remineralisation hydroxyapatite amelogenin amelogenin-derived peptides leucine-rich amelogenin peptides tyrosine-rich amelogenin peptides cannabidiol molecular mechanisms neurological diseases neuroprotective effects strigolactones Strigol anti-cancer antimicrobials sustainable agriculture α,α-difluorophosphonate deoxyxylulose phosphate reductoisomerase 1-deoxy-dxylulose 5-phosphate reductoisomerase (DXR) antimicrobial fosmidomycin isoprenoid biosynthesis 2-C-methyl-derythritol 4-phosphate (MEP) pathway multivalency gold nanoparticles enzyme inhibition Jack bean α-mannosidase aminoproline scaffold integrin targeting ligand design peptidomimetic synthesis leukocyte integrins BODIPY β-galactosidase activity PET fluorescent dispirooxindoles anticancer activity cytotoxicity 3D molecular docking p53/MDM2 interaction terpenes hydrazones penetration enhancers liposomes lipids stratum corneum laser diffraction fluorescence probe pyrene FT-IR spectroscopy heterohelicene chirality resolution enantiomers chiroptical screw-shaped compounds betulinic acid α-glucosidase inhibition mechanism postprandial hyperglycemia synergistic effect AMR persisters (p)ppGpp fragment screening thermal shift assay STD-NMR boron phthalimide benzamide glycosidase cancer boron neutron capture therapy |
| ISBN | 3-0365-4990-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910619464603321 |
|
Cardona Francesca
|
||
| MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||