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. 2019 Apr 15;5(5):755–767. doi: 10.1021/acscentsci.8b00913

Figure 2.

Figure 2

Neural network schemes. (a) CGnet. (b) Regularized CGnet with prior energy. (c) Spline model representing a standard CG approach, for comparison. Each energy term is a function of only one feature, and the features are defined as all the bonds, angles, dihedrals, and nonbonded pairs of atoms.