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. 2024 Mar 18;17:44. doi: 10.1186/s13068-024-02487-4

Fig. 2.

Fig. 2

Molecular docking diagram of EcTDH and EhNOX. The molecular docking simulation was performed with flexible ligand by genetic algorithm to locate the suitable binding orientation using AutoDock 4.2 program. These hydrogen bonds are labelled by PyMOL. A Docking of the L-threonine into the catalytic domain of EcTDH; B Docking of the NADH into the catalytic domain of EhNOX; C Docking of the FAD into the catalytic domain of EhNOX