A variational autoencoder can guide adaptive molecular dynamics to fold Fs-peptide to 1.6 Å RMSD, and to approach the native state of a designed beta-beta-alpha protein at 4.4 Å.
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Deep Generative Model Driven Protein Folding Simulation
A variational autoencoder can guide adaptive molecular dynamics to fold Fs-peptide to 1.6 Å RMSD, and to approach the native state of a designed beta-beta-alpha protein at 4.4 Å.