Multiple parallel hits hypothesis in nonalcoholic fatty liver disease: revisited after a decade
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Ligand topologies were generated from SMILES strings using AceDRG 64 within the CCP4 suite 65 , with covalent bond geometry restraints manually adjusted in the phenix.refine parameter file
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After adjustment for multiple testing, Gly-LCA showed a positive association with anxiety scores (HAD-A) and a negative association with mental well-being (SF-36 MCS), and Gly-LCA-3-S was positively associated with depression scores (HAD-D) (Supplementary Fig
