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Considering that the water molecules were trapped largely in the hydrophobic pockets, often made contacts with or were displaced by the fragments, and did not appear to play a structural role, we anticipated that their displacement with larger non-polar moieties would improve binding of newly designed inhibitors

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According to the transcripts per million reads (FPKM) method, the gene expression levels of transcript were calculated to further identify the differential expression genes (DEGs) between two groups

We identified acetylcarnitine as a potential biomarker for diagnosing depression, determining remission status, and monitoring treatment effectiveness