<資料>セルロース系オリゴマーの分子運動解析への分子動力学の適用

Abstract

The molecular dynamics simulation technique was introduced to the structural studies on cellulosic materials. The applicability of this technique to those materials was examined. The molecular motions of both tetraose and octaose were simulated. Their trajectories were calculated and analysed. It was found that we should reoptimize many parameters in order to apply this technique to cellulosic materials. Thus, this technique became clear to be principally powerful in analysing and understandeng the charteristics of cellulose and its derivertives.