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In addition, the docking scoring function mainly evaluates static binding affinity, which makes it tough to accurately simulate the complex physiological environment in living organisms (such as solvation effects, entropy changes, etc.), which might result in false positives in experiments for molecules that are predicted to bind well (Gioia et al., 2017

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[DOI] [PubMed] [Google Scholar] Nebert DW, Puga A, Vasiliou V

which supports the transport of fatty acids into the mitochondria