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. Author manuscript; available in PMC: 2023 Mar 30.
Published in final edited form as: Phys Chem Chem Phys. 2022 Mar 30;24(13):7653–7665. doi: 10.1039/d2cp00274d

Figure 7.

Figure 7.

Overlap of the representative structures of the conformations of KRasGEFGDP·Mg2+S1 and KRasGEFGTP·Mg2+S1 obtained from unbiased MD simulations. The key residues Asp57, Ser17, Mg2+ and GDP/GTP at the active site are shown in sticks.