25 results on '"Eshaghi Malekshah, Rahime"'
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2. Simulation-Based Approaches for Drug Delivery Systems: Navigating Advancements, Opportunities, and Challenges
3. NPs loaded with zoledronic acid as an advanced tool for cancer therapy
4. Sunlight driven photocatalytic degradation of RhB dye using composite of bismuth oxy-bromide kaolinite BiOBr@Kaol: Experimental and molecular dynamic simulation studies
5. Insights from molecular dynamics and DFT calculations into the interaction of 1,4-benzodiazepines with 2-hydroxypropyl-βCD in a theoretical study
6. Nanocarriers for methotrexate delivery/codelivery in the frame of cancer diagnostics and treatment: a review
7. The synthetic strategies of COFs, for Drug delivery, Photo/Sono-dynamic, Photo/ Microwave thermal and Combined Therapy
8. Phytic acid-modified graphene/cobalt oxide nanocomposites: synthesis, characterization, theoretical studies, antiproliferative properties, and catalytic activities
9. Syntheses, Characterization of Imidazo[4,5-f][1,10]Phenanthroline Derivative and as (III) Complex, in Vitro Evaluation, the Determine of Apoptosis Mechanism; Theoretical and Quantum Studies
10. Z-Scheme G-C3n4/Fe3o4/Ag3po4@Sep Magnetic Nanocomposites as Heterojunction Photocatalysts for Green Malachite Degradation and Dynamic Molecular Studies
11. Fabrication and examination of polyorganophosphazene/polycaprolactone-based scaffold with degradation, in vitro and in vivo behaviors suitable for tissue engineering applications
12. Synthesis, characterization, spectral studies and evaluation of noncovalent interactions in co-crystal of μ-oxobridged polymeric copper(II) complex derived from pyrazolone by theoretical studies
13. Solution-phase polyol synthesis and coadsorption MD calculations from faceted platinum nanoparticles: NOVEL NPs‒polymer morphology controlling
14. Effect of N-benzyl group in indole scaffold of thiosemicarbazones on the biological activity of their Pd(II) complexes: DFT, biomolecular interactions, in silico docking, ADME and cytotoxicity studies
15. Molecular dynamics and quantum simulation of different cationic dyes removal from contaminated water using UiO-66 (Zr)-(COOH)2 metal–organic framework
16. Preparation and examination of a scaffold based on hydroxylated polyphosphazene for tissue engineering: In vitro and in vivo studies
17. A new insight into catalytic ozonation of sulfasalazine antibiotic by plasma-treated limonite nanostructures: Experimental, modeling and mechanism
18. Anticancer Potential of Copper(I) Acylthiourea Complexes with Triphenylphosphine Against Breast Cancer Cells Via Apoptosis - Biomolecular Interactions and Docking with SARS-CoV-2
19. Cytotoxicity and Apoptosis-Inducing Ability of a Novel Naphthoquinone–Based Phosphoramide: An Experimental and Theoretical Approach
20. Synthesis, characterization, cytotoxicity studies, theoretical approach of adsorptive removal and molecular calculations of four new phosphoramide derivatives and related graphene oxide
21. Synthesis, Characterization, Biomedical Application, Molecular Dynamic Simulation and Molecular Docking of Schiff Base Complex of Cu(II) Supported on Fe3O4/SiO2/APTS
22. Synthesis and toxicity assessment of Fe3O4 NPs grafted by ∼ NH2-Schiff base as anticancer drug: modeling and proposed molecular mechanism through docking and molecular dynamic simulation
23. Biological studies and computational modeling of two new copper complexes derived from β-diketones and their nano-complexes
24. New mononuclear copper(II) complexes from β-diketone and β-keto ester N-donor heterocyclic ligands: structure, bioactivity, and molecular simulation studies
25. Crystal structure, molecular docking, and biological activity of the zinc complexes with 2-thenoyltrifluoroacetone and N-donor heterocyclic ligands
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