### Abstract

Two computational problems arise from inclusion of six external variables between two molecules in a biopolymer system in the conformational energy analysis in which bond lengths and bond angles are kept fixed and only dihedral angles are treated as independent variables. They are the calculation of the first and second derivatives of the conformational energy function and the calculation of the coefficient matrix in the kinetic energy Lagrangian. These two problems are studied and formulae are given, which turn out to be minor modifications of those already derived for cases of one polymer molecule.

Original language | English (US) |
---|---|

Pages (from-to) | 3269-3275 |

Number of pages | 7 |

Journal | Journal of the Physical Society of Japan |

Volume | 53 |

Issue number | 9 |

State | Published - Sep 1984 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Physics and Astronomy(all)

### Cite this

*Journal of the Physical Society of Japan*,

*53*(9), 3269-3275.

**Formulation of static and dynamic conformational energy analysis of biopolymer systems consisting of two or more molecules.** / Braun, Werner; Yoshioki, Shuzo; Go, Nobuhiro.

Research output: Contribution to journal › Article

*Journal of the Physical Society of Japan*, vol. 53, no. 9, pp. 3269-3275.

}

TY - JOUR

T1 - Formulation of static and dynamic conformational energy analysis of biopolymer systems consisting of two or more molecules

AU - Braun, Werner

AU - Yoshioki, Shuzo

AU - Go, Nobuhiro

PY - 1984/9

Y1 - 1984/9

N2 - Two computational problems arise from inclusion of six external variables between two molecules in a biopolymer system in the conformational energy analysis in which bond lengths and bond angles are kept fixed and only dihedral angles are treated as independent variables. They are the calculation of the first and second derivatives of the conformational energy function and the calculation of the coefficient matrix in the kinetic energy Lagrangian. These two problems are studied and formulae are given, which turn out to be minor modifications of those already derived for cases of one polymer molecule.

AB - Two computational problems arise from inclusion of six external variables between two molecules in a biopolymer system in the conformational energy analysis in which bond lengths and bond angles are kept fixed and only dihedral angles are treated as independent variables. They are the calculation of the first and second derivatives of the conformational energy function and the calculation of the coefficient matrix in the kinetic energy Lagrangian. These two problems are studied and formulae are given, which turn out to be minor modifications of those already derived for cases of one polymer molecule.

UR - http://www.scopus.com/inward/record.url?scp=0009522262&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0009522262&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0009522262

VL - 53

SP - 3269

EP - 3275

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

SN - 0031-9015

IS - 9

ER -