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. 2019 Dec 13;21(6):811–817. doi: 10.1002/cbic.201900624

Figure 5.

Figure 5

Hydration layer of HLADH in simulations of mixtures of glyceline and water versus the water mole fraction. Water, the oxygen atom of which is within 3.5 Å of any non‐hydrogen atom of HLADH, is considered to be in the hydration layer. Simulations were performed for one HLADH molecule in the respective mixture of glyceline/water at 25 °C and 1 bar. The data points are connected by solid and dashed lines to guide the eye.