DNA sequence and methylation prescribe the inside-out conformational dynamics and bending energetics of DNA minicircles

J Yoo, S Park, C Maffeo, T Ha… - Nucleic acids …, 2021 - academic.oup.com
Eukaryotic genome and methylome encode DNA fragments' propensity to form nucleosome
particles. Although the mechanical properties of DNA possibly orchestrate such encoding …

Effects of topological constraints on linked ring polymers in solvents of varying quality

ZA Dehaghani, I Chubak, CN Likos, MR Ejtehadi - Soft Matter, 2020 - pubs.rsc.org
We investigate the effects of topological constraints in catenanes composed of interlinked
ring polymers on their size in a good solvent as well as on the location of their θ-point when …

DNA elasticity from coarse-grained simulations: The effect of groove asymmetry

E Skoruppa, M Laleman, SK Nomidis… - The Journal of chemical …, 2017 - pubs.aip.org
It is well established that many physical properties of DNA at sufficiently long length scales
can be understood by means of simple polymer models. One of the most widely used …

Effect of methylation on local mechanics and hydration structure of DNA

X Teng, W Hwang - Biophysical journal, 2018 - cell.com
Cytosine methylation affects mechanical properties of DNA and potentially alters the
hydration fingerprint for recognition by proteins. The atomistic origin for these effects is not …

Mechanical response of double-stranded DNA: Bend, twist, and overwind

X Mou, K Liu, L He, S Li - The Journal of Chemical Physics, 2024 - pubs.aip.org
We employed all-atom molecular dynamics simulations to explore the mechanical response
of bending, twisting, and overwinding for double-stranded DNA (dsDNA). We analyzed the …

Identifying physical causes of apparent enhanced cyclization of short DNA molecules with a coarse-grained model

RM Harrison, F Romano, TE Ouldridge… - Journal of chemical …, 2019 - ACS Publications
DNA cyclization is a powerful technique to gain insight into the nature of DNA bending.
While the wormlike chain model provides a good description of small to moderate bending …

DNA size in confined environments

M Zoli - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
For short DNA molecules in crowded environments, we evaluate macroscopic parameters
such as the average end-to-end distance and the twist conformation by tuning the strength of …

End-to-end distance and contour length distribution functions of DNA helices

M Zoli - The Journal of chemical physics, 2018 - pubs.aip.org
I present a computational method to evaluate the end-to-end and the contour length
distribution functions of short DNA molecules described by a mesoscopic Hamiltonian. The …

Anisotropy of B-DNA groove bending

N Ma, A van der Vaart - Journal of the American Chemical Society, 2016 - ACS Publications
DNA bending is critical for DNA packaging, recognition, and repair, and occurs toward either
the major or the minor groove. The anisotropy of B-DNA groove bending was quantified for …

J-factors of short DNA molecules

M Zoli - The Journal of Chemical Physics, 2016 - pubs.aip.org
The propensity of short DNA sequences to convert to the circular form is studied by a
mesoscopic Hamiltonian method which incorporates both the bending of the molecule axis …