REFLEX: RNA Ensemble Generation via Flexibility-Calibrated Stochastic Bridge
RNA molecules often function through multiple experimentally observed conformational states. A central challenge is to capture ensemble diversity without sacrificing structural fidelity: samples may collapse toward averaged representative structures or drift into unsupported conformational regions. We introduce REFLEX (RNA Ensemble generation calibrated by FLEXibility), a sequence-conditioned generator for RNA backbone-frame ensembles based on a heteroscedastic stochastic bridge on SE(3). During training, experimental B-factors calibrate residue-wise bridge widths, exposing each observed conformer through local perturbation neighborhoods with residue-specific scales while keeping constrai...
| Authors | Wanli Ma, Tianmeng Hu, Ke Li |
|---|---|
| Primary category | cs.AI |
| Published | 19 October 2026 |
| Last updated at source | 19 October 2026 |
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