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.
Biomolecular Data Science-in Honor of Professor Philip E. Bourne
| Biomolecular Data Science-in Honor of Professor Philip E. Bourne |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2023 |
| Descrizione fisica | 1 online resource (232 p.) |
| Soggetto topico |
Biology, life sciences
Research & information: general |
| Soggetto non controllato |
amino acids
and graph neural network APOBEC basal cells binding energy bioinformatics biological macromolecules carbohydrates cell-type composition census tract ciliated cells CRISPR/Cas9 cryogenic electron microscopy cryogenic electron tomography data science deep learning DNA DNA sequencing drug discovery drug repositioning drugs of abuse electron crystallography electronic health records entropy FAIR function annotation functional families genome editing goblet cells graph neural network immune response to smoking kernel classifiers kernel method KinBase classification KinFams large language models ligand binding sites lung cancers machine learning macromolecular crystallography metagenomics micro-electron diffraction MSA mutational signatures n/a nuclear magnetic resonance spectroscopy nucleic acids off-targets Open Access pharmacovigilance Philip Bourne prioritization algorithm Protein Data Bank protein database protein kinases proteins quantum machine learning quantum metric learning reaction template read classification real-world evidence recurrent neural network retrosynthesis RNA search tool SHAP values small-molecule ligands smoking social determinants of health social media specificity annotation structural bioinformatics structure-based drug discovery variability Worldwide Protein Data Bank |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9911053031203321 |
| MDPI - Multidisciplinary Digital Publishing Institute, 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
| Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics |
| Autore | Tutone Marco |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (387 p.) |
| Soggetto topico |
Chemistry
Research & information: general Research and information: general |
| Soggetto non controllato |
3CL-Pro
3D-QSAR acetylcholinesterase aging progression mechanism Alzheimer's disease aminophenylbenzamide antibody:antigen interactions antivirals binding free energies binding site binding space carbon nanotubes cholesterol computational biology consensus models COVID-19 COX-2 inhibitors deep learning diabetes docking simulations doxorubicin encapsulation drug delivery system drug discovery drug repositioning drug repositioning approaches drug repurposing drug resistance drug-resistance mutations dual mode of action dual-target lead discovery epitope binning epitope mapping epitope prediction FimH fingerprints gene expression signature genome-wide genetic and epigenetic network (GWGEN) glycoprotein D (gD) haeckelite defects HDACs hERG toxicity herpes simplex virus fusion proteins high-throughput virtual screening HIV-2 protease homology modeling hTSPO human dihydrofolate reductase immunoproteasome in silico induced structural deformations induced-fit docking inhibitors isoform-selective histone deacetylase inhibitors isomeric space ligand-based model machine learning main protease MD binding MD simulation metadynamics methotrexate molecular docking molecular dynamics molecular dynamics (MD) simulation molecular dynamics simulation molecular dynamics simulations molecular modeling MRP4 multi-modal multiple-molecule drug multiprotein inhibiting natural compounds multiscale multitargeting mutants Mycobacterium tuberculosis n/a natural compounds neurodegenerative disorders nicotinic acetylcholine receptor non-covalent inhibitors noncovalent interactions oxidative stress PF-00835231 pharmacophore model pharmacophore modeling PK11195 polypharmacology proteasome protein docking protein threading modeling proteomic signature RNA expression regulation SARS-CoV-2 skin aging SNPs sodium-glucose co-transporters 2 Src inhibitors Stone-Wales defects structural bioinformatics structural characterization systems medicine design tuberculosis urinary tract infections uropathogenic bacteria variants virtual screening |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Computational Approaches |
| Record Nr. | UNINA-9910557519403321 |
Tutone Marco
|
||
| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
In Silico Strategies for Prospective Drug Repositionings
| In Silico Strategies for Prospective Drug Repositionings |
| Autore | Udrescu Lucreția |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (288 p.) |
| Soggetto topico |
Medicine
Pharmaceutical industries Medicine and Nursing Manufacturing industries |
| Soggetto non controllato |
COVID-19
drug repurposing topological data analysis persistent Betti function SARS-CoV-2 network-based pharmacology combination therapy nucleoside GS-441524 fluoxetine synergy antidepressant natural compounds QSAR molecular docking drug repositioning UK Biobank vaccine LC-2/ad cell line drug discovery docking MM-GBSA calculation molecular dynamics cytotoxicity assay GWAS multiple sclerosis oxidative stress repurposing ADME-Tox bioinformatics complex network analysis modularity clustering ATC code hidradenitis suppurativa acne inversa transcriptome proteome comorbid disorder biomarker signaling pathway druggable gene drug-repositioning MEK inhibitor MM/GBSA Glide docking MD simulation MM/PBSA single-cell RNA sequencing pulmonary fibrosis biological networks p38α MAPK allosteric inhibitors in silico screening computer-aided drug discovery network analysis psychiatric disorders medications psychiatry mental disorders toxoplasmosis Toxoplasma gondii in vitro screening drug targets drug-disease interaction target-disease interaction DPP4 inhibitors lipid rafts |
| ISBN | 3-0365-6133-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910639987703321 |
|
Udrescu Lucreția
|
||
| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||