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. Author manuscript; available in PMC: 2014 Oct 3.
Published in final edited form as: J Phys Chem B. 2013 Sep 18;117(39):11584–11595. doi: 10.1021/jp4064966

Figure 3. Backbone angles of PNA from MD simulations.

Figure 3

A) Lewis structure of a PNA monomer and the corresponding backbone angles. Average values were measured over 25.0 ns of simulation and compared to average values from available PNA-RNA/DNA structures. Polar plots for backbone angles were constructed, the black lines represents the angle measured from simulation, red a PNA-PNA duplex (PDB ID: 1PUP), green a PNA-DNA duplex (PDB ID: 1NR8) and blue a PNA-RNA duplex (PDB ID:176D). Circular plots represent the B) alpha, C) beta, D) gamma, E) delta, G) epsilon and F) zeta angle values. Error bars represent standard deviation of each base pair in a duplex.