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Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2.
Li H, Komori A, Li M, Chen X, Yang AWH, Sun X, Liu Y, Hung A, Zhao X, Zhou L. Li H, et al. Among authors: li m. J Mol Liq. 2023 Mar 15;374:121253. doi: 10.1016/j.molliq.2023.121253. Epub 2023 Jan 16. J Mol Liq. 2023. PMID: 36694691 Free PMC article.
Identification of inhibitors from a functional food-based plant Perillae Folium against hyperuricemia via metabolomics profiling, network pharmacology and all-atom molecular dynamics simulations.
Wu C, Wong AR, Chen Q, Yang S, Chen M, Sun X, Zhou L, Liu Y, Yang AWH, Bi J, Hung A, Li H, Zhao X. Wu C, et al. Among authors: li h. Front Endocrinol (Lausanne). 2024 Feb 16;15:1320092. doi: 10.3389/fendo.2024.1320092. eCollection 2024. Front Endocrinol (Lausanne). 2024. PMID: 38435751 Free PMC article.
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