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The small molecule ligand was processed using AutoDockTools 1.5.7 software, including adding hydrogen bonds and assigning proper torsion angles to chemical bonds, and then exported in PDBQT format
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TMAO, which can also be formed from choline as a precursor, is itself associated with an increased risk of CVD despite being naturally found in some species of fish and seafood
E., & Katzinger, J
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