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102 articles for “computer mathematical modeling”
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Exploring Antimalarial Activity of Chalcone Derivatives through QSAR
Abstract: Background: The core structure of chalcones contains a reactive α,β-unsaturated system within the aromatic rings, which plays a key role in mediating various biological effects. These effects include enzyme inhibition, anticancer activity, anti-inflammatory properties, as well as antibacterial, antifungal, antimalarial, antiprotozoal, and anti-filarial actions.Modifying the structure by introducing substituent groups to the aromatic ring can enhance potency, reduce toxicity, and expand their range of pharmacological actions.Methods: A total of twenty-seven …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article
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Hierarchical Computational Modeling of Physical Structure Across Quark, Nuclear, and Atomic Scales
Abstract: We present a modular, multi-scale computational framework that integrates physical modeling and visualization across quark, nuclear, and atomic scales within a unified pipeline. Developed to address the traditional fragmentation between sub-nucleonic, nuclear, and electronic representations, the system provides a continuous data flow and visualization bridge spanning from femtometers to ångströms. The framework consists of three primary modules: a particle-level module illustrating nucleons as confined quark-triplets with effective flux-tube geometries; a …
Published in Research & Reviews : Journal of Physics · Vol. 15, Issue 1, 2026 · pp. 38–53 Read article