The space writhes and signatures of polymer knots

Abstract: The space writhe of a knot is a property of its three-dimensional embedding that contains information about its underlying topology, but the correspondence between space writhe and other topological invariants is not fully understood. We perform Langevin dynamics simulations of knotted semiflexible polymers and measure their ensemble average space writhe. We show that for all knots up to 10 crossings, alternating and non-alternating, the average space writhe is almost equal to that of the tightest known configuration of the same knot, with minor differences. Using this equivalence, we show that for more complex knots with up to 38 crossings, the average space writhe is strongly correlated with the signature of the knot. This establishes that the connection between signature and space writhe holds at larger crossing numbers.