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. 2017 Aug 29;45(19):11401–11412. doi: 10.1093/nar/gkx766

Figure 5.

Figure 5.

Molecular dynamics simulations. (A) Selective structure of anti-parallel G4 adjacent to duplex DNA. Donor and acceptor positions were obtained using AV approach and shown as clouds. (B) FRET efficiencies obtained from smFRET experiments (EsmFRET) and AV calculations based on the MD simulations (EAV). Standard errors from Gaussian fitting to obtain the peak values of EsmFRET and EAV are <0.01. The diagonal dashed line indicates the identity line.