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. Author manuscript; available in PMC: 2018 Jun 15.
Published in final edited form as: J Comput Chem. 2017 Feb 4;38(16):1308–1320. doi: 10.1002/jcc.24691

Figure 8.

Figure 8

(A) Free energy landscapes as a function of the pair distance of G79, H173 and G554 amino acids on the helix dimers of GpA, Bnip3 and EphA1, respectively and crossing angles between the helices at 300 K from the simulations with HDGBv3 and HDGBvdW . (B) Probability distribution curves of the crossing angles of helix dimers derived from 2D REMD simulations for the pair distances less than 6 Å. The black lines are corresponding to the experimental crossing angles from the solution state NMR models.