Compute the free energy landscape of different RNA molecules and study the folding pathway of RNA molecules.
SimTK RNA_Fold project aims to understand the accurate folding pathways of RNA molecules. Free energy landscape of RNA folding will be studied for all atom model or physical based coarse graining model. Replica exchange Molecular Dynamics, simulated tempering and other sampling methods will be used to enhance sampling. Folding@Home distributed computing will be used due to its big computing power.