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
· Journal of Chemical Theory a... · 1 citation