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Repurposing terfenadine and domperidone for inhibition of apoptotic gene association in colorectal cancer: A system pharmacology approach integrated with molecular docking, MD simu...
Published 2025-08-01“…Furthermore, post-MD simulation study supports the stable score landscape and stability of complex. In conclusion, this integrative computational analysis highlights terfenadine and domperidone as promising candidates capable of modulating key apoptotic pathways in CRC. …”
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1542
Engineering behavior and geotechnical challenges of sulfate-rich soils in Astana
Published 2025-02-01Get full text
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1543
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1544
Evaluating Directed Acyclic Graphs with DAGMetrics: Insights from Tuber and Soil Microbiome Data
Published 2025-04-01Get full text
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1546
Custom 3D-printed porous titanium augments for Paprosky type III acetabular defects: a case series combining biomechanical rationale with early clinical outcomes
Published 2025-07-01“…Finite element analysis (FEA) simulated the defects, utilizing a commercial augment as a control. …”
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1547
Exploring Socioeconomic Challenges Using Latent Dirichlet Allocation and Text Mining: Convergence Points Between World Bank and The International Monetary Fund Reports
Published 2025-03-01“…The study underscores the effectiveness of structured text-mining methodologies in analyzing economic discourse and institutional viewpoints, demonstrating their value in capturing complex economic themes. By systematically identifying thematic coherence, this research contributes to economic policy formulation and financial stability in resource-dependent economies. …”
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1548
Temperature sensitivity of the interspecific interaction strength of coastal marine fish communities
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1549
Sustainable additive manufacturing of recycled RPU/PLA composites via filament extrusion for enhanced mechanical and acoustic properties
Published 2025-09-01“…High-resolution scanning electron microscopy (HR-SEM), thermogravimetric analysis (TGA), and Fourier transform infrared spectroscopy (FTIR) provided insights into the composite’s morphology, chemical interactions, and thermal stability. …”
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1550
Deep behavioral phenotyping tracks functional recovery following tibia fracture in mice
Published 2025-08-01“…By contrast, we observed only minor sex-specific differences in impairment and recovery following fracture. Our analysis revealed that functional recovery is more complex than individual parameters viewed in isolation, with different parameters identifying distinct recovery timeframes. …”
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1552
Enhanced Hysteresis Droop Control for Equivalent Load Sharing in Parallel PWM DC-DC Converters: Optimized Slew Rate by Resonant Filtering
Published 2024-01-01“…The basis behind the work encompasses power system stability, reliability, efficiency, reduction of losses and decrease in the operational cost. …”
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1553
An efficient space–time two-grid difference approach to symmetric regularized long waves: Enhanced efficiency and accuracy
Published 2025-05-01“…Our conservation laws analysis is also deepened, with detailed numerical examples provided to showcase how the ST-TG scheme faithfully adheres to the conservation of mass, momentum, and energy, underpinning its stability and physical consistency. …”
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1554
Computational molecular insights into ibrutinib as a potent inhibitor of HER2-L755S mutant in breast cancer: gene expression studies, virtual screening, docking, and molecular dyna...
Published 2025-03-01“…MM-PBSA analysis revealed that the HER2-L755S-ibrutinib complex had more negative binding energy than the HER2-L755S-afatinib, HER2-L755S-lapatinib, and HER2-L755S-neratinib complexes, suggesting that ibrutinib forms the most stable complex with favorable binding interactions.ConclusionThese results provide in-depth atomic-level insights into the binding mechanisms of these inhibitors, highlighting ibrutinib as a potentially effective inhibitor for the clinical treatment of breast cancer.…”
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1555
Multifractal Carbon Market Price Forecasting with Memory-Guided Adversarial Network
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1556
Multi-Condition Magnetic Core Loss Prediction and Magnetic Component Performance Optimization Based on Improved Deep Forest
Published 2025-01-01“…Magnetic components play a crucial role in voltage stabilization, conversion, and filtering, conventional loss models struggle to accurately characterize the nonlinear loss characteristics under multi-physics coupling and complex operating conditions. …”
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1557
Network pharmacology and in silico approaches to uncover multitargeted mechanism of action of Zingiber zerumbet rhizomes for the treatment of idiopathic pulmonary fibrosis [version...
Published 2024-06-01“…Confirmational molecular docking and dynamics simulation studies possessed good stability and interactions of the protein-ligand complexes by RMSD, RMSF, rGyr, SASA, and principal component analysis (PCA). …”
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Design, evaluation, cytotoxic activity, molecular docking, ADMET analysis, and dynamic simulations and the preparation of new isoxazoles, thiazoles, 1,3-thiazines, and thiazolopyri...
Published 2025-12-01“…Molecular dynamics simulations confirmed the stability of complexes formed by compounds 5d, 11a, and 11b with CDK2, ERα, VEGFR, and EGFR. …”
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Mechanism of nimodipine in treating neurodegenerative diseases: in silico target identification and molecular dynamic simulation
Published 2025-03-01“…Molecular docking was carried out using AutoDock Vina, and the ligand-receptor complexes with the highest binding affinities were further simulated using GROMACS to assess the dynamic structural stability and interactions between the ligand and receptor in the dynamic system.ResultsA total of 33 intersecting drug-disease targets were identified. …”
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