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DSF formed stable complexes with mTOR, PTGS2, and MMP9 through the hydrophobic interactions, as DSF did not form hydrogen bonds, and the interactions were consistent at the active site throughout the 100 ns MD simulation as both DSF and standard molecules interactions were overlapped in the decomposition graph (Figure 9) and were also confirmed through visualizing the trajectory (refer to Supplementary Movies for MTOR, PTGS2, and MMP9)

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