Longer Is Not Always Better: Effects of Equilibration Length on Umbrella Sampling Estimations for RNA Hairpin Folding Stabilities
Olayinka Akinyemi, Elzbieta Kierzek, Ryszard Kierzek, James P McSally, Anees Mohammed Keedakkatt Puthenpeedikakkal, David H. Mathews
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.
bioRxiv · Sep 16, 2026 · PreprintBiophysics