Fig. 4: Course-grained molecular dynamics (MD) simulations.
From: Single-molecule junction spontaneously restored by DNA zipper
a Schematic illustration of DNA modelling. Nucleotides are represented by three spherical sites corresponding to the nitrogenous base (blue), deoxyribose sugar (yellow), and phosphate group (orange). b Model of single-molecule junction of 90-mer DNA. Arrowheads indicate the selected bases. c Time course of displacement of moving end (top), the distance between complementary bases (middle), and the number of base pairs in the duplex region (bottom). d Snapshots of simulated structures of the zipper DNA. Labels (I)–(IV) correspond to MD steps shown in c.
