How molecular knots can pass through each other

Proc Natl Acad Sci U S A. 2014 Jun 3;111(22):7948-51. doi: 10.1073/pnas.1319376111. Epub 2014 May 19.

Abstract

We propose a mechanism in which two molecular knots pass through each other and swap positions along a polymer strand. Associated free energy barriers in our simulations only amount to a few kBT, which may enable the interchange of knots on a single DNA strand.

Keywords: diffusion; molecular dynamics.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computers
  • DNA / chemistry*
  • Diffusion
  • Models, Molecular*
  • Nanostructures / chemistry
  • Nucleic Acid Conformation
  • Polymers / chemistry*
  • Thermodynamics

Substances

  • Polymers
  • DNA