BiophysicsJournal of Chemical Theory and ComputationPeer-reviewed
Toward Accurate RNA Folding Thermodynamics: Evaluation of Enhanced Sampling Methods for Force Field Benchmarking
Petra Kührová, Vojtěch Mlýnský, Ivo Frébort…·Pavel Banáš
This study evaluates enhanced sampling methods for RNA force field benchmarking using an 8-mer tetraloop, finding T-REMD most robust for accurate folding free energy estimates.
DOI 10.1021/acs.jctc.6c00108