Re-examination of the intrinsic, dynamic and hydration properties of phosphoramidate DNA.
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ABSTRACT:
SUBMITTER: Banavali NK
PROVIDER: S-EPMC55823 | biostudies-literature | 2001 Aug
REPOSITORIES: biostudies-literature
Publications
Re-examination of the intrinsic, dynamic and hydration properties of phosphoramidate DNA.
Banavali N K NK MacKerell A D AD
Nucleic acids research 20010801 15
Intrinsic energetic and solvation factors contributing to the unusual structural and biochemical properties of N3'-phosphoramidate DNA analogs have been re-examined using a combination of quantum mechanical and molecular dynamics methods. Evaluation of the impact of the N3'-H substitution was performed via comparison of N3'-phosphoramidate DNA starting from both A- and B-form structures, B-form DNA and A-form RNA. The N3'-H group is shown to be flexible, undergoing reversible inversion transitio ...[more]
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