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DFT, ADME studies and evaluation of the binding with HSA and MAO-B inhibitory potential of protoberberine alkaloids from Guatteria friesiana: theoretical insights of promising candidates for the treatment of Parkinson's disease.
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- Journal of Molecular Modeling, 2023, v. 29, n. 11, p. 1, doi. 10.1007/s00894-023-05756-5
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- Article
Correction: Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions.
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- 2023
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- Correction Notice
TD-DFT, DFT, docking, MD simulations, and concentration-dependent SERS investigations of a bioactive trifluoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids.
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- Journal of Molecular Modeling, 2023, v. 29, n. 8, p. 1, doi. 10.1007/s00894-023-05679-1
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- Article
Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions.
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- Journal of Molecular Modeling, 2023, v. 29, n. 8, p. 1, doi. 10.1007/s00894-023-05623-3
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- Publication type:
- Article
Adsorption of a thione derivative on carbon, AlN, and BN nanotubes: a detailed DFT and MD investigation.
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- Journal of Molecular Modeling, 2022, v. 28, n. 7, p. 1, doi. 10.1007/s00894-022-05179-8
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- Article
DFT analysis of valproic acid adsorption onto Al<sub>12</sub>/B<sub>12</sub>-N<sub>12</sub>/P<sub>12</sub> nanocages with solvent effects.
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- Journal of Molecular Modeling, 2022, v. 28, n. 4, p. 1, doi. 10.1007/s00894-022-05088-w
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- Article
Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations.
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- Journal of Molecular Modeling, 2021, v. 27, n. 8, p. 1, doi. 10.1007/s00894-021-04835-9
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- Article
Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies.
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- Journal of Molecular Modeling, 2021, v. 27, n. 6, p. 1, doi. 10.1007/s00894-021-04800-6
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- Article
Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations.
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- Journal of Molecular Modeling, 2021, v. 27, n. 4, p. 1, doi. 10.1007/s00894-021-04742-z
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- Article
DFT and molecular docking studies of self-assembly of sulfone analogues and graphene.
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- Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04546-7
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- Article
Cocrystals of hydrochlorothiazide with picolinamide, tetramethylpyrazine and piperazine: quantum mechanical studies, docking and modelling of the photovoltaic efficiency for DSSC.
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- Journal of Molecular Modeling, 2020, v. 26, n. 9, p. N.PAG, doi. 10.1007/s00894-020-04528-9
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- Article
Development of sulfamethoxazole-succinimide cocrystal by mechanochemical cocrystallization – An insight into spectroscopic, electronic, chemical conformation and physicochemical properties.
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- Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2022, v. 185, p. 446, doi. 10.1016/j.cherd.2022.07.012
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- Article
Influence of Pyramidal M20 (M = Cu, Ag and Au) Clusters on SERS and Noncovalent Interactions toward Tuberculosis Drug Pretomanid (PTD): DFT Study.
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- Journal of Computational Biophysics & Chemistry, 2024, v. 23, n. 1, p. 47, doi. 10.1142/S2737416523500503
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- Article
FT-IR, FT-Raman, and computational calculations of 4-chloro-2-(3-chlorophenyl carbamoyl)phenyl acetate.
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- Journal of Raman Spectroscopy, 2009, v. 40, n. 12, p. 2176, doi. 10.1002/jrs.2393
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- Article
Synthesis, Characterization and Assessment of Antioxidant and Melanogenic Inhibitory Properties of Edaravone Derivatives.
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- Antioxidants, 2024, v. 13, n. 9, p. 1148, doi. 10.3390/antiox13091148
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- Article
Strong nonsplit domsaturation number of a graph.
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- Discrete Mathematics, Algorithms & Applications, 2024, v. 16, n. 7, p. 1, doi. 10.1142/S1793830923500891
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- Article
Implementation of the Sports Activities in Promoting Student Engagement: A Case Study.
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- Psychology & Education: A Multidisciplinary Journal, 2024, v. 24, n. 5, p. 577, doi. 10.5281/zenodo.13382050
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- Article
Physical microhabitat requirements of freshwater pearl mussels, Margaritifera margaritifera (L.).
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- Hydrobiologia, 2000, v. 429, n. 1-3, p. 59, doi. 10.1023/A:1004068412666
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- Article
Occupational performance coaching for stroke survivors (OPC-Stroke): Understanding of mechanisms of actions.
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- British Journal of Occupational Therapy, 2018, v. 81, n. 6, p. 326, doi. 10.1177/0308022618756001
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- Article
Low Vision Rehabilitation, Age-Related Vision Loss, and Risk: A Critical Interpretive Synthesis.
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- Gerontologist, 2016, v. 56, n. 3, p. e32, doi. 10.1093/geront/gnv685
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- Article
Antiproliferative Effects of Olanzapine against MCF-7 Cells and Its Molecular Interactions with Survivin.
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- International Journal of Nutrition, Pharmacology, Neurological Diseases, 2022, v. 12, n. 2, p. 72, doi. 10.4103/ijnpnd.IJNPND_82_21
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- Article
Dietary and Metabolic Approaches for Treating Autism Spectrum Disorders, Affective Disorders and Cognitive Impairment Comorbid with Epilepsy: A Review of Clinical and Preclinical Evidence.
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- Nutrients, 2024, v. 16, n. 4, p. 553, doi. 10.3390/nu16040553
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- Article
Omeprazole as a CYP2C19 Marker in Chinese Subjects: Assessment of Its Gene-Dose Effect and Intrasubject Variability.
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- Journal of Clinical Pharmacology, 2004, v. 44, n. 6, p. 582
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- Article
Inside Back Cover: Mechanism by which Tungsten Oxide Promotes the Activity of Supported V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> Catalysts for NO<sub>X</sub> Abatement: Structural Effects Revealed by <sup>51</sup>V MAS NMR Spectroscopy (Angew. Chem. Int. Ed. 36/2019)
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- Angewandte Chemie International Edition, 2019, v. 58, n. 36, p. 12717, doi. 10.1002/anie.201908846
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- Publication type:
- Article
Mechanism by which Tungsten Oxide Promotes the Activity of Supported V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> Catalysts for NO<sub>X</sub> Abatement: Structural Effects Revealed by <sup>51</sup>V MAS NMR Spectroscopy.
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- Angewandte Chemie International Edition, 2019, v. 58, n. 36, p. 12609, doi. 10.1002/anie.201904503
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- Publication type:
- Article
Theoretical study of glycoluril by highly symmetrical magnesium oxide Mg<sub>12</sub>O<sub>12</sub> nanostructure: adsorption, detection, SERS enhancement, and electrical conductivity study.
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- Journal of Molecular Modeling, 2022, v. 28, n. 10, p. 1, doi. 10.1007/s00894-022-05332-3
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- Article
Synthesis, photophysical, electrochemical, and DFT examinations of two new organic dye molecules based on phenothiazine and dibenzofuran.
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- Journal of Molecular Modeling, 2022, v. 28, n. 2, p. 1, doi. 10.1007/s00894-022-05026-w
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- Article
Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullerene.
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- Journal of Molecular Modeling, 2020, v. 26, n. 9, p. N.PAG, doi. 10.1007/s00894-020-04485-3
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- Publication type:
- Article
In Vivo Evidence for NMDA Receptor-Mediated Excitotoxicity in a Murine Genetic Model of Huntington Disease.
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- Journal of Neuroscience, 2009, v. 29, n. 10, p. 3200, doi. 10.1523/JNEUROSCI.5599-08.2009
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- Article
Longitudinal Evaluation of the Hdh<sup>(CAG)150</sup> Knock-In Murine Model of Huntington's Disease.
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- Journal of Neuroscience, 2007, v. 27, n. 34, p. 8989, doi. 10.1523/JNEUROSCI.1830-07.2007
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- Publication type:
- Article
Cost–Utility of All-Oral Direct-Acting Antiviral Regimens for the Treatment of Genotype 1 Chronic Hepatitis C Virus-Infected Patients in Hong Kong.
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- Digestive Diseases & Sciences, 2021, v. 66, n. 4, p. 1315, doi. 10.1007/s10620-020-06281-8
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- Article
Syndecan-4 Regulates Early Neutrophil Migration and Pulmonary Inflammation in Response to Lipopolysaccharide.
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- American Journal of Respiratory Cell & Molecular Biology, 2012, v. 47, n. 2, p. 196, doi. 10.1165/rcmb.2011-0294OC
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- Article
When Marriage Is Too Much: Reviving the Registered Partnership in a Diverse Society.
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- Yale Law Journal, 2020, v. 130, n. 2, p. 478
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- Article
Prevention Strategies for Vulnerable Pupils.
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- Urban Education, 1988, v. 22, n. 4, p. 510, doi. 10.1177/004208598802200409
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- Article
Innenrücktitelbild: Mechanism by which Tungsten Oxide Promotes the Activity of Supported V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> Catalysts for NO<sub>X</sub> Abatement: Structural Effects Revealed by <sup>51</sup>V MAS NMR Spectroscopy (Angew. Chem. 36/2019)
- Published in:
- Angewandte Chemie, 2019, v. 131, n. 36, p. 12847, doi. 10.1002/ange.201908846
- By:
- Publication type:
- Article
Mechanism by which Tungsten Oxide Promotes the Activity of Supported V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> Catalysts for NO<sub>X</sub> Abatement: Structural Effects Revealed by <sup>51</sup>V MAS NMR Spectroscopy.
- Published in:
- Angewandte Chemie, 2019, v. 131, n. 36, p. 12739, doi. 10.1002/ange.201904503
- By:
- Publication type:
- Article
Epitope‐specific affinity maturation improved stability of potent protease inhibitory antibodies.
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- Biotechnology & Bioengineering, 2018, v. 115, n. 11, p. 2673, doi. 10.1002/bit.26814
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- Article
Corrigendum: A diverse range of gene products are effectors of the type I interferon antiviral response.
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- 2015
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- Correction Notice
Absence of Systemic Immune Response to Adenovectors After Intraocular Administration to Children With Retinoblastoma.
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- Molecular Therapy, 2010, v. 18, n. 10, p. 1885, doi. 10.1038/mt.2010.139
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- Article
Modulation of Adenoviral Transduction In Vitro and In Vivo by Hyaluronan and its Receptor CD44.
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- Molecular Therapy, 2007, v. 15, n. 3, p. 566, doi. 10.1038/sj.mt.6300044
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- Article
127. Modulation of Adenoviral Vector Transduction by Hyaluronan and CD44 In Vivo.
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- Molecular Therapy, 2006, v. 13, p. S52, doi. 10.1016/j.ymthe.2006.08.148
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- Publication type:
- Article
REPORT OF A CRITICISM LESSON ON BEESWAX. .
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- Journal of Education, 1888, v. 27, n. 13, p. 198
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- Publication type:
- Article
Retinoblastoma: from bench to bedside.
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- Expert Reviews in Molecular Medicine, 2003, v. 5, n. 1, p. 1, doi. 10.1017/S1462399403005520
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- Article
Assessing the reliability of four severity scales depicting skin ageing features.
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- British Journal of Dermatology, 2009, v. 161, n. 1, p. 153, doi. 10.1111/j.1365-2133.2009.09148.x
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- Publication type:
- Article
Transmission of glioblastoma multiforme following bilateral lung transplantation from an affected donor: Case study and review of the literature.
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- Neuro-Oncology, 2004, v. 6, n. 3, p. 259, doi. 10.1215/S1152851703000474
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- Publication type:
- Article
Selective inhibition of cancer cell self-renewal through a Quisinostat-histone H1.0 axis.
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- Nature Communications, 2020, v. 11, n. 1, p. 1, doi. 10.1038/s41467-020-15615-z
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- Article
Survival of Severe Acute Respiratory Syndrome Coronavirus.
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- Clinical Infectious Diseases, 2005, v. 41, n. 7, p. e67, doi. 10.1086/433186
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- Publication type:
- Article
Following Solid-Acid-Catalyzed Reactions by MAS NMR Spectroscopy in Liquid Phase-Zeolite-Catalyzed Conversion of Cyclohexanol in Water.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 2, p. 479, doi. 10.1002/anie.201306673
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- Publication type:
- Article
Insulin delays the progression of Drosophila cells through G2/M by activating the dTOR/dRaptor complex.
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- EMBO Journal, 2007, v. 26, n. 2, p. 371, doi. 10.1038/sj.emboj.7601487
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- Article
The nonsplit domination in subdivision graph.
- Published in:
- Proyecciones - Journal of Mathematics, 2020, v. 39, n. 5, p. 1113, doi. 10.22199/issn.0717-6279-2020-05-0068
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- Publication type:
- Article