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l-carnitine also binds to acyl residues derived from the intermediate metabolism of amino acids and facilitates their function as scavengers
Full geometry optimizations, relaxed scans and transition structure searches were carried out with Gaussian 16 83 with the ONIOM 84 QM/MM method using the B3LYP hybrid functional 85 and 6-31 G(d) basis set with ultrafine integration grids for the QM part and the ff14SB 78 , gaff2 79 and TIP3P 86 force fields for the MM part (protein, substrate and water, respectively) with electrostatic embedding
Tamamogullari N, Silig Y, Icagasioglu S, Atalay A
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