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Author

Alexander D. MacKerell

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Review Open access Sep 2026

Integrating Enhanced Molecular Sampling, RNA-Specific Scoring Functions, and SILCS Technology for Small-Molecule Targeting of RNA

An in silico method to facilitate RNA-targeting small-molecule discovery that integrates enhanced sampling molecular dynamics simulations using the classical Drude polarizable force field with site identification by ligand competitive saturation (SILCS) technology is developed.

Jihyeon Lee, Alexander D. MacKerell · 1 citation

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