Conformational analysis of nucleic acid molecules with flexible furanose rings in dihedral angle space

Masaki Tomimoto, Nobuhiro Go, Hiroshi Wako

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The computational algorithm that works in the coordinate space of dihedral angles (i.e., bond lengths and bond angles are kept fixed and only rotatable dihedral angles are treated as independent variables) is extended to deal with the pseudorotational motion of furanose rings by introducing a variable of pseudorotation. Then, this algorithm is applied to a distance geometry calculation that generates three-dimensional (3D) structures that are consistent with given constraints of interatomic distances. This method efficiently generates 3D structures of an RNA hairpin loop which satisfy a set of experimental NMR data.

Original languageEnglish
Pages (from-to)910-917
Number of pages8
JournalJournal of Computational Chemistry
Volume17
Issue number7
DOIs
Publication statusPublished - 1996 May

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ASJC Scopus subject areas

  • Chemistry(all)
  • Computational Mathematics

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