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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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Tuberculosis Drug Discovery and Development 2019
| Tuberculosis Drug Discovery and Development 2019 |
| Autore | Riccardi Giovanna |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (296 p.) |
| Soggetto topico |
Biology, life sciences
Research & information: general |
| Soggetto non controllato |
anti-TB drug pipeline
anti-virulence compounds antibiotic antimicrobial drug resistance (AMR) antimycobacterial antituberculosis agents artificial pneumothorax BCG bedaquiline biomarkers Carlo Forlanini caseum cell envelope clinical studies clinical trial CTVD delpazolid discovery DNA gyrase dormancy DprE1 inhibitor drug combination drug development drug discovery drug resistance drug-drug interactions EDCTP electron transport chain energy metabolism genomics granulomas host-directed therapy IAVI in vitro in vivo isoniazid lead generation lipidomics macozinone mechanism of action mechanisms of resistance metabolomics MID3 mode of action multi-drug resistance mutations mycobacteria mycobacterium Mycobacterium tuberculosis n/a oxidative phosphorylation pharmacodynamics pharmacokinetics phenotypic screening PknB PknG post-treatment sequelae privileged targets promiscuous targets proteomics pulmonary rehabilitation Q203 rifampin structure-based drug design surgery target target identification target-based drug design target-based screening TB TBVI toxicity transcriptomics tuberculosis tuberculosis treatment tuberculosis vaccines |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557627203321 |
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Riccardi Giovanna
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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