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. Author manuscript; available in PMC: 2019 Aug 4.
Published in final edited form as: ACS Nano. 2019 Jan 24;13(2):2083–2093. doi: 10.1021/acsnano.8b08671

Figure 4.

Figure 4.

Molecular dynamics simulations of tetrahedra. (a,b) Superposition of molecular dynamics snapshots of FV (a) and MV (b) tetrahedra of 42-bp edge length at 0, 100, and 200 ns. Initial atomic models were generated by TALOS. (c) Total RMSD of all nucleic acid atoms based on the ground-state atomic model generated by TALOS. The FV and DX tetrahedra of 42-bp edge lengths show additional dynamical motion due to vertex fluctuations compared with the MV design. (d) All-atom RMSFs were calculated for the FV, MV, and DX tetrahedra over the 200 ns simulation and mapped as a white-to-red color gradient on each of the structures.