Fig. 3.

Kinetically accessible topologies from self-assembly simulations. a Series of snapshots from a molecular dynamics simulation where five helical templates and an identical number of coordinating particles self-assemble spontaneously into a cyclic-symmetric 15n₄₁₁₈₅ knot. This topology and the 10₁₂₄ one emerge as two privileged knot types that have not yet been obtained experimentally. b Repertoire of cyclic-symmetric quasi-planar knotted constructs that recurrently form in self-assembly simulations. The 12n₂₄₂-knotted construct is nearly cyclic-symmetric and is included for its high statistical incidence. For visual clarity the templates are represented with their centerline, omitting the constitutive beads