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. Author manuscript; available in PMC: 2022 Mar 9.
Published in final edited form as: J Chem Theory Comput. 2021 Feb 2;17(3):1326–1336. doi: 10.1021/acs.jctc.0c01219

Figure 1:

Figure 1:

Comparison between BARnet and MBARnet RBFEs for MCL1 both (a) without and (b) with cycle closure restraints. The red line is a linear fit to the data. The error bars are the standard error of the calculated values.