James P McSally

Longer Is Not Always Better: Effects of Equilibration Length on Umbrella Sampling Estimations for RNA Hairpin Folding Stabilities

This study shows that longer equilibration times in umbrella sampling can alter free energy landscapes and reduce agreement with experimental data for RNA hairpin folding.

NMR and molecular dynamics demonstrate the RNA internal loop GAGU is dynamic and adjacent base pairs determine conformational preference

This paper uses NMR and MD simulations to show that the RNA internal loop GAGU is dynamic, with flanking base pairs influencing its conformational preferences.