Beijing Da Xue Xue Bao Yi Xue Ban
October 2014
Objective: To propose a calculation method of oligosaccharides' fractal dimension, and to provide a new approach to studying the drug molecular design and activity.
Methods: By using the principle of energy optimization and computer simulation technology, the steady structures of oligosaccharides were found, and an effective way of oligosaccharides fractal dimension's calculation was further established by applying the theory of box dimension to the chemical compounds.
Results: By using the proposed method, 22 oligosaccharides' fractal dimensions were calculated, with the mean 1.