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. Author manuscript; available in PMC: 2022 Nov 14.
Published in final edited form as: J Phys Chem B. 2021 Oct 20;125(43):11927–11942. doi: 10.1021/acs.jpcb.1c07547

Figure 4:

Figure 4:

Comparison of backbone conformational preferences: results obtained with ff99SB (left) and FB18 (right). Conformers were classified as helical, polyproline II, or extended, according to the definitions used by Vymětal et al.52 Filled bars represent the averages between two halves of the simulations. Black whiskers show the differences between two halves of the simulations.