Covalent Probes Reveal Small-Molecule Binding Pockets in Structured RNA and Enable Bioactive Compound Design.

Three descriptors showed the most robust statistical separation ( p < 0.001) between FSE-binding and base-paired RNA-binding fragments: Mor28v ( p = 0.000987), Mor28p ( p = 0.003391), and Mor28se ( p = 0.00239), each 3D Moran autocorrelation descriptor weighted by atomic volume, polarizability, and Sanderson electronegativity, respectively. Additional 3D signal-based descriptors, including Mor15se, Mor23se, and Mor24se ( p < 0.01 for all three descriptors), also showed moderately significant differences.

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