Fully differentiable coarse-grained and all-atom knowledge-based potentials for RNA structure evaluation

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FIGURE 2.
FIGURE 2.

Energy as a function of RMSD for decoys generated by normal modes for six RNA structures (more in Supplemental Fig. 3). Scoring using our two KB potentials (all-atom on left, coarse-grained in middle) and Rosetta (right) are shown. Native scores are represented as white circles. A funnel toward low RMSD is seen in most cases. However, in several instances, some decoys score better than the native structure, a behavior that is more pronounced for the Rosetta scoring function.

This Article

  1. RNA 17: 1066-1075