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. 2016 Aug 20;17(8):1372. doi: 10.3390/ijms17081372

Scheme 1.

Scheme 1

The dehalogenation process catalyzed by fluoroacetate dehalogenase. The atoms in small quantum mechanics (QM) regions are indicated in bold blue while atoms considered in big QM regions are indicated in black. The boundaries between the QM and molecular mechanics (MM) regions are indicated by wavy lines.