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In-silico ANALYSIS OF (S)-PINOSTROBINBENZOATE DERIVATIVES FROM Boesenbergia pandurata Roxb. AS THE CYCLOOXYGENASE-2 INHIBITORS IN FINDING ANTI-INFLAMMATORY DRUG CANDIDATES.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 4, p. 1802, doi. 10.31788/RJC.2024.1748900
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COMPUTATIONAL STUDIES AND GREEN SYNTHESIS OF BENZIMIDAZOLES THROUGH SEQUENTIAL OXIDATIVE CYCLISATION OF ARYLDIAMINES IN SOLVENT-FREE CONDITIONS.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 4, p. 1631, doi. 10.31788/RJC.2024.1748932
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THE ANTICANCER EFFICACY OF INDONESIAN NUTMEG HYDROSOL EVALUATED THROUGH IN SILICO AND IN VITRO APPROACHES ON MCF7 AND 3T3 CELLS.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 4, p. 1479, doi. 10.31788/RJC.2024.1748890
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The Yang–Mills–Higgs functional on complex line bundles: Asymptotics for critical points.
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- Advances in Calculus of Variations, 2025, v. 18, n. 1, p. 95, doi. 10.1515/acv-2023-0064
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- Article
Molecular dynamics simulation based prediction of T-cell epitopes for the production of effector molecules for liver cancer immunotherapy.
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- PLoS ONE, 2025, v. 20, n. 1, p. 1, doi. 10.1371/journal.pone.0309049
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In silico Analysis of the Biflavonoids as Novel Inhibitors of α-Glucosidase.
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- Journal of Macromolecular Science: Physics, 2025, v. 64, n. 1, p. 113, doi. 10.1080/00222348.2024.2337521
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Conformational dynamics of a nicotinic receptor neurotransmitter site.
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- eLife, 2024, p. 1, doi. 10.7554/eLife.92418
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- Article
The movement of Efimov states in 2n halo nucleus: probing the roles of mass asymmetry and short range of interaction.
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- Canadian Journal of Physics, 2025, v. 103, n. 1, p. 75, doi. 10.1139/cjp-2023-0292
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RECENT ADVANCES IN ECO-FRIENDLY SYNTHESIS AND CHARACTERIZATION OF ZINC OXIDE NANOPARTICLES FROM ECOLOGICAL SOURCES FOR BIOMEDICAL AND PHOTOVOLTAIC APPLICATIONS.
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- Romanian Journal of Biophysics, 2024, v. 34, n. 4, p. 161, doi. 10.59277/RJB.2024.4.01
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Anti-Obesity Potential of Secamone afzelii K. Leaf and Vine Ethanol Extract: Insights into Lipase Inhibition and Secondary Metabolites.
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- Sci, 2024, v. 6, n. 4, p. 70, doi. 10.3390/sci6040070
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In silico molecular docking and molecular dynamics of Prinsepia utilis phytochemicals as potential inhibitors of phosphodiesterase 4B.
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- Journal of Chemical Research, 2024, v. 48, n. 6, p. 1, doi. 10.1177/17475198241305879
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Impact of edetate sodium on calcium carbonate scaling: Insights from molecular dynamics simulations.
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- Journal of Chemical Research, 2024, v. 48, n. 6, p. 1, doi. 10.1177/17475198241298795
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Mapping Acid–Base Sites on Anatase Titania (100) and (101) Surfaces by Density Functional Theory: The Link Between Lewis Acidity and the Surface Ability to Flex.
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- Surfaces (2571-9637), 2024, v. 7, n. 4, p. 1060, doi. 10.3390/surfaces7040070
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X-Ray Photoelectron Spectroscopy of Compounds Simultaneously Containing Zinc and Iron: Alert on Fe 2p Region.
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- Surfaces (2571-9637), 2024, v. 7, n. 4, p. 1003, doi. 10.3390/surfaces7040066
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- Article
Charge Transfer Excitation of NeAr + Ions in Collisions with Electrons.
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- Atoms (2218-2004), 2024, v. 12, n. 12, p. 67, doi. 10.3390/atoms12120067
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Molecular Energy of Metamorphic Coal and Methane Adsorption Based on Gaussian Simulation.
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- Processes, 2024, v. 12, n. 12, p. 2621, doi. 10.3390/pr12122621
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- Article
Asoprisnil as a Novel Ligand Interacting with Stress-Associated Glucocorticoid Receptor.
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- Biomedicines, 2024, v. 12, n. 12, p. 2745, doi. 10.3390/biomedicines12122745
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- Article
Exploring purine analogues as inhibitors against Katanin, a microtubule severing enzyme using molecular modeling approach.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-83723-7
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A-Site Ion Doping in Cs 2 AgBiBr 6 Double Perovskite Films for Improved Optical and Photodetector Performance.
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- Crystals (2073-4352), 2024, v. 14, n. 12, p. 1068, doi. 10.3390/cryst14121068
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LC-MS profiling and cytotoxic activity of Angiopteris helferiana against HepG2 cell line: Molecular insight to investigate anticancer agent.
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- PLoS ONE, 2024, v. 19, n. 12, p. 1, doi. 10.1371/journal.pone.0309797
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Molecular Dynamics Simulation for the Acidic Compounds Retention Mechanism Study on Octyl-Quaternary Ammonium Mixed-Mode Stationary Phase.
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- Journal of Chromatographic Science, 2024, v. 62, n. 10, p. 962, doi. 10.1093/chromsci/bmae036
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Undamped Higgs Modes in Strongly Interacting Superconductors.
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- Condensed Matter, 2024, v. 9, n. 4, p. 38, doi. 10.3390/condmat9040038
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- Article
From Molecules to Amoeboid Movement: A New Way for Understanding the Morphology Through Actin-Binding Proteins.
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- Biomolecules (2218-273X), 2024, v. 14, n. 12, p. 1583, doi. 10.3390/biom14121583
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Natural Compounds Targeting Thymic Stromal Lymphopoietin (TSLP): A Promising Therapeutic Strategy for Atopic Dermatitis.
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- Biomolecules (2218-273X), 2024, v. 14, n. 12, p. 1521, doi. 10.3390/biom14121521
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Ultrafast Floquet engineering of Fermi-polaron resonances in charge-tunable monolayer WSe<sub>2</sub> devices.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-55138-5
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- Article
Synthesis of halogenated azo-aspirin analogues from natural product derivatives as the potential antibacterial agents.
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- Natural Product Research, 2019, v. 33, n. 24, p. 3507, doi. 10.1080/14786419.2018.1486310
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- Article
In vitro and in silico interaction of faba bean (Vicia faba L.) seed extract with xanthine oxidase and evaluation of antioxidant activity as a therapeutic potential.
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- Natural Product Research, 2019, v. 33, n. 18, p. 2689, doi. 10.1080/14786419.2018.1460831
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- Article
Study on the interaction between fluoroelastomer and silica: Characterizations.
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- Polymer Engineering & Science, 2023, v. 63, n. 12, p. 4249, doi. 10.1002/pen.26521
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- Article
Application of bioinformatics to spectral analysis: soil organic carbon structure distinguished by X-ray photoelectron spectroscopy.
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- Analytical & Bioanalytical Chemistry, 2019, v. 411, n. 12, p. 2481, doi. 10.1007/s00216-019-01750-0
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- Article
A Photoresponsive Receptor with a 10<sup>5</sup> Magnitude of Reversible Anion‐Binding Switching.
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- Chemistry - A European Journal, 2022, v. 28, n. 26, p. 1, doi. 10.1002/chem.202200719
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Controlling the Dual‐Emission Character of Aryl‐Modified o‐Carboranes by Intramolecular CH⋅⋅⋅O Interaction Sites.
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- Chemistry - A European Journal, 2022, v. 28, n. 20, p. 1, doi. 10.1002/chem.202200155
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The Decisive Role of Spin States and Spin Coupling in Dictating Selective O<sub>2</sub> Adsorption in Chromium(II) Metal–Organic Frameworks**.
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- Chemistry - A European Journal, 2022, v. 28, n. 18, p. 1, doi. 10.1002/chem.202104526
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Binding Interactions in Copper, Silver and Gold π‐Complexes.
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- Chemistry - A European Journal, 2022, v. 28, n. 13, p. 1, doi. 10.1002/chem.202103984
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Bulk Mn<sup>2+</sup> Doped 1D Hybrid Lead Halide Perovskite with Highly Efficient, Tunable and Stable Broadband Light Emissions.
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- Chemistry - A European Journal, 2022, v. 28, n. 6, p. 1, doi. 10.1002/chem.202103043
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PTFE/EP Reinforced MOF/SiO<sub>2</sub> Composite as a Superior Mechanically Robust Superhydrophobic Agent towards Corrosion Protection, Self‐Cleaning and Anti‐Icing.
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- Chemistry - A European Journal, 2022, v. 28, n. 2, p. 1, doi. 10.1002/chem.202103220
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Exploring the Influence of Intermolecular Interactions in Prebiotic Chemistry Using Laser Spectroscopy and Calculations.
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- Chemistry - A European Journal, 2022, v. 28, n. 1, p. 1, doi. 10.1002/chem.202103636
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- Article
Synergistic Effects of Co and Fe on the Oxygen Evolution Reaction Activity of LaCo<sub>x</sub>Fe<sub>1−x</sub>O<sub>3</sub>.
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- Chemistry - A European Journal, 2021, v. 27, n. 68, p. 17145, doi. 10.1002/chem.202102829
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- Article
Halogen Bonding Propensity in Solution: Direct Observation and Computational Prediction.
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- Chemistry - A European Journal, 2021, v. 27, n. 62, p. 15472, doi. 10.1002/chem.202102522
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- Article
Imidazolium‐Functionalized Chemically Robust Ionic Porous Organic Polymers (iPOPs) toward Toxic Oxo‐Pollutants Capture from Water.
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- Chemistry - A European Journal, 2021, v. 27, n. 53, p. 13442, doi. 10.1002/chem.202102399
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- Article
Experimental and Computational Models for Side Chain Discrimination in Peptide–Protein Interactions.
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- Chemistry - A European Journal, 2021, v. 27, n. 42, p. 10883, doi. 10.1002/chem.202100890
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- Article
How Does Bridging Core Modification Alter the Photovoltaic Characteristics of Triphenylamine‐Based Hole Transport Materials? Theoretical Understanding and Prediction.
- Published in:
- Chemistry - A European Journal, 2021, v. 27, n. 12, p. 4197, doi. 10.1002/chem.202004299
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- Article
Insight into the Folding and Cooperative Multi‐Recognition Mechanism in Supramolecular Anion‐Binding Catalysis.
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- Chemistry - A European Journal, 2020, v. 26, n. 72, p. 17598, doi. 10.1002/chem.202003994
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- Article
The CH–π Interaction in Protein–Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 47, p. 10769, doi. 10.1002/chem.202000593
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- Article
Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring‐in‐Ring and Fullerene‐in‐Ring Complexes by (Matrix‐Assisted) Laser Desorption/Ionization and Density Functional Theory.
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- Chemistry - A European Journal, 2020, v. 26, n. 40, p. 8729, doi. 10.1002/chem.202001503
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- Article
N‐Doped Graphdiyne Coating for Dendrite‐Free Lithium Metal Batteries.
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- Chemistry - A European Journal, 2020, v. 26, n. 24, p. 5434, doi. 10.1002/chem.201905618
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- Article
A Molecular Torsion Balance Study: A Nearby Anionic Group Exerts Little Influence on Hydrophobic Interactions between Nonpolar Surfaces.
- Published in:
- Chemistry - A European Journal, 2019, v. 25, n. 61, p. 14010, doi. 10.1002/chem.201901208
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- Article
Finely Tuned Porous Coordination Polymers To Boost Methane Separation Efficiency.
- Published in:
- Chemistry - A European Journal, 2019, v. 25, n. 37, p. 8790, doi. 10.1002/chem.201900781
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- Article
On the Possibility of Using the Jellium Model as a Guide To Design Bimetallic Superalkali Cations.
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- Chemistry - A European Journal, 2019, v. 25, n. 17, p. 4358, doi. 10.1002/chem.201806194
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- Article
Rational Design of a 3D Mn<sup>II</sup>‐Metal–Organic Framework Based on a Nonmetallated Porphyrin Linker for Selective Capture of CO<sub>2</sub> and One‐Pot Synthesis of Styrene Carbonates.
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- Chemistry - A European Journal, 2018, v. 24, n. 62, p. 16662, doi. 10.1002/chem.201803842
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- Article
Topology and Electronic Density Driven Generation of Alkali Cation Complexes.
- Published in:
- Chemistry - A European Journal, 2018, v. 24, n. 34, p. 8656, doi. 10.1002/chem.201800707
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- Article