Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations-Reference-Cited by-同舟云学术

Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations

Published:2013-02-11 Issue:3 Volume:9 Page:1641-1656
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Přecechtělová Jana,Munzarová Markéta L.,Vaara Juha¹,Novotný Jan,Dračínský Martin²³,Sklenář Vladimír

Affiliation:

1. NMR Research Group, Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014 Oulu, Finland

2. NMR Laboratory, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v. v. i., Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic

3. Department of Chemistry, Durham University, Durham, DH13LE, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300488y

Reference69 articles.

1. Conformation and Dynamics of DNA and Protein-DNA Complexes by 31P NMR

2. Gorenstein, D. G.; Meadows, R. P.; Metz, J. T.; Nikonowicz, E. P.; Post, C. B.Advances in Biophysical Chemistry;Bush, C. A., Ed.JAI Press:Greenwich, 1990; pp47–124.Although ref1refers to this work for the value of 1.6 ppm, we couldn’t find any explicit discussion here. We deduce that it has been obtained by an extrapolation of data in Figure 28 of ref2to a periodical function of ε/ζ.

3. Quantification of DNA BI/BII Backbone States in Solution. Implications for DNA Overall Structure and Recognition

4. 31P chemical shifts in phosphate diester monoanions. Bond angle and torsional angle effects

5. Phosphorus Chemical Shifts in a Nucleic Acid Backbone from Combined Molecular Dynamics and Density Functional Calculations

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