How do hydrophobic nucleobases differ from natural DNA nucleobases? Comparison of structural features and duplex properties from QM calculations and MD simulations-Reference-Cited by-同舟云学术

How do hydrophobic nucleobases differ from natural DNA nucleobases? Comparison of structural features and duplex properties from QM calculations and MD simulations

Published:2017 Issue:25 Volume:19 Page:16365-16374
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Negi Indu¹²³⁴⁵,Kathuria Preetleen¹²³⁴⁵,Sharma Purshotam¹²³⁴⁵^ORCID,Wetmore Stacey D.⁶⁷⁸⁹^ORCID

Affiliation:

1. Computational Biochemistry Laboratory

2. Department of Chemistry and Centre for Advanced Studies in Chemistry

3. Panjab University

4. Chandigarh

5. India

6. Department of Chemistry and Biochemistry

7. University of Lethbridge

8. Lethbridge

9. Canada

Abstract

Computational (DFT and MD simulation) methods are employed to systematically characterize the structural and energetic properties of five hydrophobic nucleobases that constitute four unnatural base pairs.

Funder

University Grants Commission

Natural Sciences and Engineering Research Council of Canada

Canada Foundation for Innovation

Canada Research Chairs

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP02576A

Reference79 articles.