What Can Human-Guided Simulations Bring to RNA Folding?

ABSTRACT: Inspired by the recent success of scientific-discovery games for predicting protein tertiary and RNA secondary structures, we have developed an open software for coarse-grained RNA folding simulations, guided by human intuition. To determine the extent to which interactive simulations can accurately predict 3D RNA structures of increasing complexity and lengths (four RNAs with 22-47 nucleotides), an interactive experiment was conducted with 141 participants who had very little knowledge of nucleic acids systems and computer simulations, and had received only a brief description of the important forces stabilizing RNA structures. Their structures and full trajectories have been analyzed statistically and compared to standard replica exchange molecular dynamics simulations. Our analyses show

SUBMITTER: Mazzanti L 

PROVIDER: S-EPMC5529179 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature