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FIGURE 1:
Binding free energy of vitamins K (K , MK-4, MK-7 and K in their epoxide, quinone and hydroquinone states) toward
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1
vitamin K epoxide reductase (VKORC1) and membrane in molecular dynamics (MD) simulations. The binding free
energy (BFE) between vitamin K and membrane is shown as the upper line. The BFEs between the epoxide state
of vitamin K and VKORC1 are shown as the lower lines for vitamin K , MK-4, MK-7 and K , respectively. The BFEs
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1
of quinone and hydroquinone states of vitamins K toward VKORC1 are presented as lower lines. Two 100-ns MD
simulations were performed on each vitamin K–VKORC1 complex, then concatenated to be considered as one
200-ns MD simulation.
Copyright © 2019 by Nolan C., Hammed A., Benoît E., and Lattard V.
Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and condi-
tions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/legalcode)
SPRING 2020 Wise Traditions 41
