National Academy of Sciences, Proceedings of the National Academy of Sciences, 1(113), p. 116-121, 2015
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Significance This paper addresses a long-standing unsolved issue in RNA folding, namely, the kinetics for the very elementary steps of RNA folding. Lacking the ability to identify the exact microscopic, molecular level processes has been responsible for a variety of inaccurate predictions for RNA dynamics and RNA biochemical, such as enzymatic, reactions. Unlike previous unfolding (pulling) simulations, we here perform a direct folding study for the process. The misfolded states and the kinetic role of ions discovered in the study may provide significant insights into the physical mechanism of RNA conformational changes in biology.