Detection and visualization of physical knots in macromolecules.

Autor: Virnau, Peter
Předmět:
Zdroj: Physics Procedia; Dec2010, Vol. 6, p117-125, 9p
Abstrakt: Abstract: This manuscript provides a pedagogical introduction on how to determine and visualize simple physical knots occurring in polymers, proteins and DNA. We explain how the Alexander polynomial is computed and implemented in a simulation code, and how the structure can be simplified beforehand to save computer time. The concept of knottedness can also be extended in a statistical framework to chains which are not closed. The latter is exemplified by comparing statistics of knots in open random walks and closed random loops. [ABSTRACT FROM AUTHOR]
Databáze: Supplemental Index