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. Author manuscript; available in PMC: 2020 May 21.
Published in final edited form as: J Chem Theory Comput. 2019 Dec 13;16(1):773–781. doi: 10.1021/acs.jctc.9b00932

Figure 4:

Figure 4:

MOFF (orange) significantly improves over the hydrophobic scale model (blue) in predicting Rg for a test set of proteins not included in force field parameterization. The arrow highlights ERM TADn, which is discussed in the main text as a case where the improvement is less pronounced. Simulation errors are comparable to the symbol size.