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Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 10, p. 851, doi. 10.1007/s10822-016-9962-8
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- Article
Covalent docking of selected boron-based serine beta-lactamase inhibitors.
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- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 5, p. 441, doi. 10.1007/s10822-015-9834-7
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- Article
On the active site of mononuclear B1 metallo β-lactamases: a computational study.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 4, p. 425, doi. 10.1007/s10822-012-9571-0
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- Article
Inside Cover: Structural and Dynamic Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study (Chem. Eur. J. 37/2013).
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- Chemistry - A European Journal, 2013, v. 19, n. 37, p. 12174, doi. 10.1002/chem.201390140
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- Article
Structural and Dynamic Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study.
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- Chemistry - A European Journal, 2013, v. 19, n. 37, p. 12281, doi. 10.1002/chem.201301376
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- Article
Functionalized Fe-Filled Multiwalled Carbon Nanotubes as Multifunctional Scaffolds for Magnetization of Cancer Cells.
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- Advanced Functional Materials, 2013, v. 23, n. 25, p. 3173, doi. 10.1002/adfm.201202898
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- Article
CEMIP (HYBID, KIAA1199): structure, function and expression in health and disease.
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- FEBS Journal, 2023, v. 290, n. 16, p. 3946, doi. 10.1111/febs.16600
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Combining Experimental Data and Computational Methods for the Non-Computer Specialist.
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- Molecules, 2020, v. 25, n. 20, p. 4783, doi. 10.3390/molecules25204783
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- Article
Structure and Function of the Human Ryanodine Receptors and Their Association with Myopathies—Present State, Challenges, and Perspectives.
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- Molecules, 2020, v. 25, n. 18, p. 4040, doi. 10.3390/molecules25184040
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- Article
How Computational Chemistry and Drug Delivery Techniques Can Support the Development of New Anticancer Drugs.
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- Molecules, 2020, v. 25, n. 7, p. 1756, doi. 10.3390/molecules25071756
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- Article
How phosphorylation influences E1 subunit pyruvate dehydrogenase: A computational study.
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- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-33048-z
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- Article
Nuclear magnetic resonance signal chemical shifts and molecular simulations: a multidisciplinary approach to modeling copper protein structures.
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- Journal of Biological Inorganic Chemistry (JBIC), 2012, v. 17, n. 1, p. 71, doi. 10.1007/s00775-011-0830-7
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- Article
Biological Characterization of Computationally Designed Analogs of peptide TVFTSWEEYLDWV (Pep2-8) with Increased PCSK9 Antagonistic Activity.
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- Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-018-35819-0
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- Article
Isonitrile-Based Multicomponent Synthesis of β-Amino Boronic Acids as β-Lactamase Inhibitors.
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- Antibiotics (2079-6382), 2020, v. 9, n. 5, p. 249, doi. 10.3390/antibiotics9050249
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- Article
Compounds targeting OSBPL7 increase ABCA1-dependent cholesterol efflux preserving kidney function in two models of kidney disease.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24890-3
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- Article
EZH2-induced lysine K362 methylation enhances TMPRSS2-ERG oncogenic activity in prostate cancer.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24380-6
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- Article
Machine learning analyses of antibody somatic mutations predict immunoglobulin light chain toxicity.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-23880-9
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- Article
Theoretical Studies of Homogeneous Catalysts Mimicking Nitrogenase.
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- Molecules, 2011, v. 16, n. 1, p. 442, doi. 10.3390/molecules16010442
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- Article
ETS1 phosphorylation at threonine 38 is associated with the cell of origin of diffuse large B cell lymphoma and sustains the growth of tumour cells.
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- British Journal of Haematology, 2023, v. 203, n. 2, p. 244, doi. 10.1111/bjh.19018
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- Article
Endoplasmic Reticulum and Lysosomal Quality Control of Four Nonsense Mutants of Iduronate 2-Sulfatase Linked to Hunter's Syndrome.
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- DNA & Cell Biology, 2020, v. 39, n. 2, p. 226, doi. 10.1089/dna.2019.5221
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- Article
Esmethadone-HCl (REL-1017): a promising rapid antidepressant.
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- European Archives of Psychiatry & Clinical Neuroscience, 2023, v. 273, n. 7, p. 1463, doi. 10.1007/s00406-023-01571-4
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- Article
Exploring Proprotein Convertase Subtilisin/Kexin 9 (PCSK9) Autoproteolysis Process by Molecular Simulations: Hints for Drug Design.
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- ChemMedChem, 2020, v. 15, n. 16, p. 1601, doi. 10.1002/cmdc.202000431
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- Article
Insights into docking and scoring neuronal α4β2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations.
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- Journal of Computational Chemistry, 2009, v. 30, n. 15, p. 2443, doi. 10.1002/jcc.21251
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- Article
Structural Biology of STAT3 and Its Implications for Anticancer Therapies Development.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 6, p. 1591, doi. 10.3390/ijms19061591
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- Article
Mechanistic Insights into the Antibiofilm Mode of Action of Ellagic Acid.
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- Pharmaceutics, 2023, v. 15, n. 6, p. 1757, doi. 10.3390/pharmaceutics15061757
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- Article
Pharmacological Comparative Characterization of REL-1017 (Esmethadone-HCl) and Other NMDAR Channel Blockers in Human Heterodimeric N-Methyl-D-Aspartate Receptors.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 8, p. 997, doi. 10.3390/ph15080997
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- Article
Computational Design of Novel Cyclic Peptides Endowed with Autophagy-Inhibiting Activity on Cancer Cell Lines.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 9, p. 4622, doi. 10.3390/ijms25094622
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Focused Design of Novel Cyclic Peptides Endowed with GABARAP-Inhibiting Activity.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 9, p. 5070, doi. 10.3390/ijms23095070
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- Article