Fig. 2: JS divergence between MD simulation conformations (green) and generated conformations of different steps with DynaRNA (blue).
From: DynaRNA: accurate dynamic RNA conformation ensemble generation with diffusion model
The first panel shows the nucleotide–nucleotide distance contact map of the MD simulation ensemble. The following panels present contact maps of ensembles generated by adding noise and denoising from 200 to 1024 steps. Each panel is annotated with the JS divergence relative to the MD ensemble distribution, with the ensemble at 800 steps showing the smallest JS divergence.
