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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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Plant Glutathione Transferases: Diverse, Multi-Tasking Enzymes with Yet-to-Be Discovered Functions
| Plant Glutathione Transferases: Diverse, Multi-Tasking Enzymes with Yet-to-Be Discovered Functions |
| Autore | Csiszár Jolán |
| Pubbl/distr/stampa | Frontiers Media SA, 2019 |
| Descrizione fisica | 1 online resource (145 p.) |
| Soggetto topico |
Botany and plant sciences
Science: general issues |
| Soggetto non controllato |
catalysis
detoxification gene regulation glutathione transferases glutathionylation ligand binding redox state secondary metabolism |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Plant Glutathione Transferases |
| Record Nr. | UNINA-9910557264703321 |
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Csiszár Jolán
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| Frontiers Media SA, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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