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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 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
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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The Impact of Caffeine and Coffee on Human Health
| The Impact of Caffeine and Coffee on Human Health |
| Autore | Cornelis Marilyn |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (322 p.) |
| Soggetto non controllato |
coronary artery disease
lipids NADH dehydrogenase tea tinnitus safety transcriptomics ergogenic guidelines myocardial perfusion placebo Caffeine risk factors lysophosphatidylcholine pregnancy assisted reproduction techniques population adenosine liver fibrosis coffee consumption cognitive causation supplement mate adult gene expression wine lipidomics chocolate exercise protection Suicide dipyridamole regadenoson live birth hearing pharmacological ergogenic aid behavior cardiovascular disease gene-diet interaction whole-blood sex health systematic review causality genetic epidemiology implantation pharmacogenomics cognitions ergogenic aid time trial performance CYP1A2 aging phenolic country caffeine intake serum chloride levels polymorphism responders intoxication trial epidemiological methods bias adenosine receptor longevity did not respond energy drinks biomarkers individual responses Mendelian Randomization public policy anxiety the Norwegian Women and Cancer Cohort (NOWAC) ADORA2A clinical pregnancy caffeine metabolism caffeine intoxication cohort study mood mRNA alcohol consumption epidemiology caffeine expectancy accidental death European Prospective Investigation into Cancer and Nutrition cognition consumption HIV-HCV co-infection cytochrome P450 chlorogenic acids soda 24-h dietary recall coffee depression sport age |
| ISBN | 3-03921-835-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367738403321 |
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Cornelis Marilyn
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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