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Marine Drug Discovery through Computer-Aided Approaches.
- Published in:
- Marine Drugs, 2023, v. 21, n. 8, p. 452, doi. 10.3390/md21080452
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- Article
Advanced Methods for Natural Products Discovery: Bioactivity Screening, Dereplication, Metabolomics Profiling, Genomic Sequencing, Databases and Informatic Tools, and Structure Elucidation.
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- Marine Drugs, 2023, v. 21, n. 5, p. 308, doi. 10.3390/md21050308
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- Article
Machine Learning for the Prediction of Ionization Potential and Electron Affinity Energies Obtained by Density Functional Theory.
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- ChemistrySelect, 2023, v. 8, n. 16, p. 1, doi. 10.1002/slct.202300036
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- Article
Computational Approaches Drive Developments in Immune-Oncology Therapies for PD-1/PD-L1 Immune Checkpoint Inhibitors.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 6, p. 5908, doi. 10.3390/ijms24065908
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- Article
Systematic Review: Drug Repositioning for Congenital Disorders of Glycosylation (CDG).
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- International Journal of Molecular Sciences, 2022, v. 23, n. 15, p. 8725, doi. 10.3390/ijms23158725
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- Article
Predicting Antifouling Activity and Acetylcholinesterase Inhibition of Marine-Derived Compounds Using a Computer-Aided Drug Design Approach.
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- Marine Drugs, 2022, v. 20, n. 2, p. N.PAG, doi. 10.3390/md20020129
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- Article
14th Edition of the Nacional Organic Chemistry Meeting and 7th Edition of the Nacional Therapeutic Chemistry Meeting †.
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- Chemistry Proceedings, 2022, v. 11, n. 1, p. 1, doi. 10.3390/chemproc2022011001
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- Article
Machine learning prediction of UV–Vis spectra features of organic compounds related to photoreactive potential.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-03070-9
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- Article
Machine Learning Methods to Predict the Terrestrial and Marine Origin of Natural Products.
- Published in:
- Molecular Informatics, 2021, v. 40, n. 6, p. 1, doi. 10.1002/minf.202060034
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- Article
A Computer-Aided Drug Design Approach to Predict Marine Drug-Like Leads for SARS-CoV-2 Main Protease Inhibition.
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- Marine Drugs, 2020, v. 18, n. 12, p. 633, doi. 10.3390/md18120633
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- Article
Antifouling Napyradiomycins from Marine-Derived Actinomycetes Streptomyces aculeolatus†.
- Published in:
- Marine Drugs, 2020, v. 18, n. 1, p. 63, doi. 10.3390/md18010063
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- Article
Intra‐clade metabolomic profiling of MAR4 Streptomyces from the Macaronesia Atlantic region reveals a source of anti‐biofilm metabolites.
- Published in:
- Environmental Microbiology, 2019, v. 21, n. 3, p. 1099, doi. 10.1111/1462-2920.14529
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- Article
A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy †.
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- Marine Drugs, 2019, v. 17, n. 1, p. 16, doi. 10.3390/md17010016
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- Article
In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs.
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- Biomolecules (2218-273X), 2018, v. 8, n. 3, p. 56, doi. 10.3390/biom8030056
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- Article
Machine learning for the prediction of molecular dipole moments obtained by density functional theory.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0296-5
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- Article
Computational Methodologies in the Exploration of Marine Natural Product Leads.
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- Marine Drugs, 2018, v. 16, n. 7, p. 236, doi. 10.3390/md16070236
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- Article
NavMol 3.0: enabling the representation of metabolic reactions by blind users.
- Published in:
- Bioinformatics, 2018, v. 34, n. 1, p. 120, doi. 10.1093/bioinformatics/btx556
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- Article
The Madeira Archipelago As a Significant Source of Marine-Derived Actinomycete Diversity with Anticancer and Antimicrobial Potential.
- Published in:
- Frontiers in Microbiology, 2016, v. 7, p. 1, doi. 10.3389/fmicb.2016.01594
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- Article
Exploration of Quantitative StructureReactivity Relationships for the Estimation of Mayr Nucleophilicity.
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- Helvetica Chimica Acta, 2015, v. 98, n. 6, p. 863, doi. 10.1002/hlca.201400366
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- Article
QSAR-Assisted Virtual Screening of Lead-Like Molecules from Marine and Microbial Natural Sources for Antitumor and Antibiotic Drug Discovery.
- Published in:
- Molecules, 2015, v. 20, n. 3, p. 4848, doi. 10.3390/molecules20034848
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- Article
A Chemoinformatics Approach to the Discovery of Lead-Like Molecules from Marine and Microbial Sources En Route to Antitumor and Antibiotic Drugs.
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- Marine Drugs, 2014, v. 12, n. 2, p. 757, doi. 10.3390/md12020757
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- Article
NavMol 2.0 - A Molecular Structure Navigator/Editor for Blind and Visually Impaired Users.
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- European Journal of Organic Chemistry, 2013, v. 2013, n. 8, p. 1415, doi. 10.1002/ejoc.201201458
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- Article
1D<sup> 13</sup>C-NMR Data as Molecular Descriptors in Spectra -- Structure Relationship Analysis of Oligosaccharides.
- Published in:
- Molecules, 2012, v. 17, n. 4, p. 3818, doi. 10.3390/molecules17043818
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- Article