Check out our paper on identification of ligand binding sites starting from apo RNA using enhanced sampling with the Drude polarizable force field and the SILCS technology in conjunction with RNA specific collective variables and scoring functions. pubs.acs.org/jctcce/artic...
pubs.acs.org
Integrating Enhanced
Molecular Sampling, RNA-Specific
Scoring Functions, and SILCS Technology for Small-Molecule Targeting
of RNA
Abstract. Increasing knowledge of the wide range of biological
functions
of ribonucleic acids (RNAs) has made them a critical target in drug
development. A
