Circular polycatenanes: Supramolecular structures with topologically tunable properties

L Tubiana, F Ferrari, E Orlandini - Physical Review Letters, 2022 - APS
Polycatenanes, macrochains of topologically interlocked rings with unique physical
properties have recently gained considerable interest in supramolecular chemistry, biology …

[图书][B] Encyclopedia of knot theory

C Adams, E Flapan, A Henrich, LH Kauffman… - 2021 - api.taylorfrancis.com
" Knot theory is a fascinating mathematical subject, with multiple links to theoretical physics.
This enyclopedia is filled with valuable information on a rich and fascinating subject."–Ed …

New biologically motivated knot table

R Brasher, RG Scharein… - Biochemical Society …, 2013 - portlandpress.com
The knot nomenclature in common use, summarized in Rolfsen's knot table [Rolfsen (1990)
Knots and Links, American Mathematical Society], was not originally designed to distinguish …

The linking number in systems with periodic boundary conditions

E Panagiotou - Journal of Computational Physics, 2015 - Elsevier
Abstract Periodic Boundary Conditions (PBC) are often used for the simulation of complex
physical systems. Using the Gauss linking number, we define the periodic linking number as …

Writhe and mutual entanglement combine to give the entanglement length

E Panagiotou, M Kröger, KC Millett - … Review E—Statistical, Nonlinear, and Soft …, 2013 - APS
We propose a method to estimate N e, the entanglement length, that incorporates both local
and global topological characteristics of chains in a melt under equilibrium conditions. This …

Channels with Helical Modulation Display Stereospecific Sensitivity for Chiral Superstructures

R Rusková, D Račko - Polymers, 2021 - mdpi.com
By means of coarse-grained molecular dynamics simulations, we explore chiral sensitivity of
confining spaces modelled as helical channels to chiral superstructures represented by …

Pulling-force-induced elongation and alignment effects on entanglement and knotting characteristics of linear polymers in a melt

E Panagiotou, M Kröger - Physical Review E, 2014 - APS
We employ a primitive path (PP) algorithm and the Gauss linking integral to study the degree
of entanglement and knotting characteristics of linear polymer model chains in a melt under …

The local topological free energy of the sars-cov-2 spike protein

Q Baldwin, B Sumpter, E Panagiotou - Polymers, 2022 - mdpi.com
The novel coronavirus SARS-CoV-2 infects human cells using a mechanism that involves
binding and structural rearrangement of its Spike protein. Understanding protein …

The second vassiliev measure of uniform random walks and polygons in confined space

P Smith, E Panagiotou - Journal of Physics A: Mathematical and …, 2022 - iopscience.iop.org
Biopolymers, like chromatin, are often confined in small volumes. Confinement has a great
effect on polymer conformations, including polymer entanglement. Polymer chains and other …

Linking number and writhe in random linear embeddings of graphs

E Flapan, K Kozai - Journal of Mathematical Chemistry, 2016 - Springer
In order to model entanglements of polymers in a confined region, we consider the linking
numbers and writhes of cycles in random linear embeddings of complete graphs in a cube …