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. 2020 Sep 2;5(36):23468–23480. doi: 10.1021/acsomega.0c03472

Figure 1.

Figure 1

QM region. Panel (a) shows the atoms selected to be treated quantum-mechanically in this study. Panel (b) shows the relative structure of the QM region (blue) and the classical regions of NADH and FMN (red).