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Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation

Figure 8

Schematic representation of consensus transition pathways between the R and T state as derived from the MD simulations.

The large sphere and square depict the quaternary R and T states, respectively, whereas the small spheres and squares depict tertiary r and t states, respectively. A square with round corners indicates an intermediate structure between R and T or between r and t.

Figure 8

doi: https://doi.org/10.1371/journal.pcbi.1000774.g008