Comparison of theoretical and thermodynamic values of interconstituent interactions in DNA

Masayuki Shibata, Thomas Kieber‐Emmons, Robert Rein

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Experimental base stacking and hydrogen bonding enthalpies, as determined from double stranded DNA melting studies, are compared with theoretical calculations of interactions between the respective DNA interconstituent components. Comparisons are made in relation to the differences in magnitudes, sequence dependent spreads, and trends. It is shown that the use of an effective dielectric constant reconciles the differences between the experimental and theoretical values. Suggestions are made for calibration of potential functions suitable for nucleic acid conformational analysis.

Original languageEnglish (US)
Pages (from-to)1283-1293
Number of pages11
JournalInternational Journal of Quantum Chemistry
Volume23
Issue number4
DOIs
StatePublished - Apr 1983
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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