### 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 language | English |
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Pages (from-to) | 910-917 |

Number of pages | 8 |

Journal | Journal of Computational Chemistry |

Volume | 17 |

Issue number | 7 |

Publication status | Published - 1996 May |

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### ASJC Scopus subject areas

- Chemistry(all)
- Safety, Risk, Reliability and Quality

### Cite this

*Journal of Computational Chemistry*,

*17*(7), 910-917.

**Conformational analysis of nucleic acid molecules with flexible furanose rings in dihedral angle space.** / Tomimoto, Masaki; Go, Nobuhiro; Wako, Hiroshi.

Research output: Contribution to journal › Article

*Journal of Computational Chemistry*, vol. 17, no. 7, pp. 910-917.

}

TY - JOUR

T1 - Conformational analysis of nucleic acid molecules with flexible furanose rings in dihedral angle space

AU - Tomimoto, Masaki

AU - Go, Nobuhiro

AU - Wako, Hiroshi

PY - 1996/5

Y1 - 1996/5

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0344453576&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0344453576&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0344453576

VL - 17

SP - 910

EP - 917

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

SN - 0192-8651

IS - 7

ER -