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The increased sampling is clear from the C RMSDs for these simulations (more details see supplementary information)

Eur Rev Med Pharmacol Sci 20(10):21442150 Saadat S, Naghdi F, Ghorani V, Rakhshandeh H, Boskabady MH (2019) Histamine (H1) receptors, cyclooxygenase pathway and nitric oxide formation involved in rat tracheal smooth muscle relaxant effect of berberine Saha P, Durugkar S, Jain S, Shantanu PA, Panda SR, Jala A, Gokhale S, Sharma P, Naidu VGM (2022) Piperine attenuates cigarette smoke-induced oxidative stress, lung inflammation, and epithelialmesenchymal transition by modulating the SIRT1/Nrf2 axis

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Kanhai KMS, Zuiker RGJA, Stavrakaki I, Gladdines W, Gaillard PJ, Klaassen ES, et al