グルコース,マルトースおよびラミナラビオースの安定構造とコンフォメーション解析についての再考--経験的力場計算法の応用

IR Web Site

Bibliographic Information

Other Title
  • グルコース,マルトースおよびラミナラビオースの安定構造とコンフォメーション解析についての再考 : 経験的力場計算法の応用(B. 生活科学)
  • グルコース マルトース オヨビ ラミナラビオース ノ アンテイ コウゾウ ト
  • Reexamination on the stable structures and conformation analysis of glucose, maltose and laminarabiose. : Application of empirical force field calculation (B. LIVING SCIENCE)

Search this article

Description

The full optimized structures of glucose are obtained by means of empirical force field (MM2) and abinitio moleculer orbital (MO) calculations. The calculated bond lengths, bond angles and dihedral angles are in good agreement with the data from X ray crystal analysis. The most stable conformation and conformation energy map are calculated for maltose and laminarabiose employing the MM2 method. The results are consistent with the earlier works by Kitamura et al. as to the bond angle and dihedral angles at the most stable conformation. However both methods give quite different features of energy map. The structural relaxation of glucose residue is found essentially important in order to calculate the energy map by the MM2 method.

Journal

Details 詳細情報について

Report a problem

Back to top