Related papers: Proteins analysed as virtual knots
This project explores the mathematical study of knots and links in topology, focusing on differentiating between the two-component Unlink and the Hopf Link using a computational tool named LINKAGE. LINKAGE employs the linking number,…
Over the years, advances in experimental and computational methods have helped us to understand the role of thermodynamic, kinetic and active (chaperone-aided) effects in coordinating the folding steps required to achieving a knotted native…
Knots are abundant in globular homopolymers but rare in globular proteins. To shed new light on this long-standing conundrum, we study the influence of sequence on the formation of knots in proteins under native conditions within the…
A protein is traditionally visualised as a piecewise linear discrete curve, and its geometry is conventionally characterised by the extrinsically determined Ramachandran angles. However, a protein backbone has also two independent intrinsic…
Macromolecules can gain special properties by adopting knotted conformations, but engineering knotted macromolecules is a challenging task. Here we surprisingly observed that knotting can be very effectively produced in active polymers.…
Polymers can be modeled as open polygonal paths and their closure generates knots. Knotted proteins detection is currently achieved via high-throughput methods based on a common framework insensitive to the handedness of knots. Here we…
The presence of slipknots in configurations of proteins and DNA has been shown to affect their functionality, or alter it entirely. Historically, polymers are modeled as polygonal chains in space. As an alternative to space curves, we…
The statistical mechanics of a long knotted collapsed polymer is determined by a free-energy with a knot-dependent subleading term, which is linked to the length of the shortest polymer that can hold such knot. The only other parameter…
Approximately 1% of the known protein structures display knotted configurations in their native fold but their function is not understood. It has been speculated that the entanglement may inhibit mechanical protein unfolding or transport,…
Gel electrophoresis is a powerful experimental method to probe the topology of DNA and other biopolymers. While there is a large body of experimental work which allows us to accurately separate different topoisomers of a molecule, a full…
Knitted fabrics are two-dimensional-like structures formed by stitching one-dimensional yarn into three-dimensional curves. Plain stitch or stockinette stitch, one of the most fundamental knitting stitches, consists of periodic lattices of…
We explore the possibility of applying the framework of frequent pattern mining to a class of continuous objects appearing in nature, namely knots. We introduce the frequent knot mining problem and present a solution. The key observation is…
Proteins fold using a two-state or multi-state kinetic mechanisms, but up to now there isn't a first-principle model to explain this different behaviour. We exploit the network properties of protein structures by introducing novel…
The viscous flow of polymer chains in dense melts is dominated by topological constraints whenever the single chain contour length, N, becomes larger than the characteristic scale Ne, defining comprehensively the macroscopic rheological…
The presence of knots has been observed in a small fraction of single-domain proteins and related to their thermodynamic and kinetic properties. The exchanging of identical structural elements, typical of domain-swapped proteins, make such…
In this paper we discuss the applications of knotoids to modelling knots in open curves and produce new knotoid invariants. We show how invariants of knotoids generally give rise to well-behaved measures of how much an open curve is…
Soft elastic filaments that can be stretched, bent and twisted exhibit a range of topologically and geometrically complex morphologies that include plectonemes, solenoids, knot-like and braid-like structures. We combine numerical…
We introduce a new technique for studying classical knots with the methods of virtual knot theory. Let $K$ be a knot and $J$ a knot in the complement of $K$ with $\text{lk}(J,K)=0$. Suppose there is covering space $\pi_J: \Sigma \times…
Knots and links are fascinating and intricate topological objects. Their influence spans from DNA and molecular chemistry to vortices in superfluid helium, defects in liquid crystals and cosmic strings in the early universe. Here, we find…
Knits and crochets are mechanical metamaterials with a long history and can typically be produced from a single yarn. Despite the simplicity of the manufacturing process, they exhibit a wide range of structural configurations with diverse…