Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory-Reference-Cited by-同舟云学术

Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory

Published:2015 Issue:34 Volume:17 Page:21866-21879
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Norman Patrick¹²³⁴⁵,Parello Joseph⁶⁷⁸⁹,Polavarapu Prasad L.⁶⁷⁸⁹,Linares Mathieu¹²³⁴⁵

Affiliation:

1. Department of Physics

2. Chemistry and Biology

3. Linköping University

4. SE-581 83 Linköping

5. Sweden

6. Department of Chemistry

7. Vanderbilt University

8. Nashville

9. USA

Abstract

It is demonstrated that time-dependent density functional theory (DFT) calculations can accurately predict changes in near-UV electronic circular dichroism (ECD) spectra of DNA as the structure is altered from the linear (free) B-DNA form to the supercoiled N-DNA form found in nucleosome core particles.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02481A

Reference53 articles.

1. Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid

2. An Overview of Structural DNA Nanotechnology

3. Colloquium: The quest for high-conductance DNA

4. Frontiers in Molecular Dynamics Simulations of DNA

5. Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations

Cited by 15 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. On the origin of the electronic and magnetic circular dichroism of naphthyl C-glycosides: Anomeric configuration;Carbohydrate Research;2024-01

2. On the Origin of Electronic and Magnetic Circular Dichroism of Naphthyl <i>C</i>-Glycosides: Anomeric Configuration;2023

3. Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study;The Journal of Physical Chemistry B;2022-12-12

4. Revealing the nature of localized and delocalized excitations of DNA;Journal of Physics and Chemistry of Solids;2022-11

5. Natural and magnetic circular dichroism spectra of nucleosides: effect of the dynamics and environment;RSC Advances;2021