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Probiotics, synbiotics and berberine in Type 2 diabetes mellitus: A systematic review, meta-analysis, and molecular dynamics simulation study
published 29 May 2026
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In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations
published 14 May 2026
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Tailoring Bayesian Additive Regression Trees (BART) for environmental mixture studies
published 11 May 2026
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Physicochemical, spectral, medicinal, and toxicological studies of Ketoprofen, Ibuprofen, and their major degradants: A quantum-chemical and in silico approach
published 06 May 2026
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Pharmacophore- and QSAR-guided discovery of natural product inhibitors targeting dehydrosqualene synthase in Staphylococcus aureus
published 29 Apr 2026
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The tip of the iceberg: Profiling cooling agents using computational approaches to inform tobacco regulatory science
published 16 Apr 2026
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Development and evaluation of a multimodal feature-based predictive model for radiotherapy-induced oral mucositis in nasopharyngeal carcinoma
published 09 Apr 2026
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Antimicrobial and antibiofilm evaluation of thymol, sodium azide, and sodium lauryl sulfate against multidrug-resistant pathogens: An integrated experimental and computational study
published 07 Apr 2026
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Elucidating the binding mechanism of Caralluma tuberculata metabolites with type 2 diabetes targets through molecular docking and dynamics simulations
published 03 Apr 2026
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Unraveling the toxicological impact of Bisphenol A exposure on dermatomyositis: An integration of network toxicology and machine learning approaches
published 30 Mar 2026
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Elucidating the potential carcinogenic molecular mechanisms of parabens in head and neck squamous cell carcinoma through network toxicology and molecular docking
published 23 Mar 2026
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Toxic chinese herbal medicine recognition in real-world images via multi-scale and attention-enhanced EfficientNetV2
published 19 Mar 2026
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Mechanistic insights into triclosan-induced hepatotoxicity: A network toxicology and molecular docking approach
published 25 Feb 2026
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