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. Author manuscript; available in PMC: 2015 May 11.
Published in final edited form as: Chem Soc Rev. 2014 Apr 23;43(13):4871–4893. doi: 10.1039/c4cs00048j

Fig.10.

Fig.10

Hire-RNAv3 results. Left, Folding of the 22-nt pseudo-knot (2G1W) using ST simulation with the predicted state (blue) superposed on the NMR structure (yellow). The RMSD with respect to the NMR structure over time is shown. Right, MD-predicted structure of the 79-nt guanine riboswitch 1Y26 (blue) superposed on the experimental structure (yellow) using our four restraints (in red). In both panels the secondary structure of the system is shown on the right.