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. Author manuscript; available in PMC: 2019 Oct 11.
Published in final edited form as: J Phys Chem B. 2018 Oct 1;122(40):9314–9323. doi: 10.1021/acs.jpcb.8b07494

Figure 6: Mean residence times for the open and closed states of amide-hydrogens.

Figure 6:

Data are shown from all simulations of RGS4, RGS8, and RGS19 conducted with the CHARMM-FF (panel A) and the AMBER-FF (panel B). The MRT calculations were carried out using our proposed fractional population model M9 that showed consistent predictions with the HDX-MS data.