Thermodynamic prediction of RNA cellular activity from sequence via conformational ensembles - PubMed
7 hours ago
- #Thermodynamics
- #RNA
- #Conformational Ensembles
- Thermodynamic prediction of RNA cellular activity from sequence via conformational ensembles.
- Systematic alteration of HIV-1 TAR RNA sequence to change its propensity for functional vs. inactive secondary structure.
- Quantification of active-state propensity using proton chemical exchange saturation transfer (1H CEST) NMR without isotopic labeling.
- Minor sequence changes resulted in ~500-fold shifts in active-state propensity, predicting 125- to 300-fold changes in binding to Tat and cellular transactivation.
- Secondary-structure prediction algorithms inferred propensities, incorporated into a thermodynamic framework for quantitative prediction of protein-binding affinity and cellular activity.
- Established a quantitative thermodynamic framework linking RNA sequence to cellular activity through conformational ensembles.
- Potential for generalized predictions as computational ensemble modeling advances.