Abstract

The spatial conformation model of type I collagen molecules (1cgd) is simulated at different temperatures on the basis of Amber software firstly. Then the relationship between structure stability and the moisture permeability and air permeability of natural leather and temperature change is researched further. Thirdly, Setting 298K, 338K, 378K and 418K as simulation temperature, the change regulation of Root Mean Square Deviation (RMSD) [the manner in which the RMSD of 1cgd increases with rise in temperature]and Radius of Gyration (RG) at four kinds of temperatures are researched respectively. These researches indicate that deviation level of the molecular structure of type I collagen is different from the original molecular structure at room temperature with the increase of temperature, and the structural stability of collagen molecules decreased with the increase of temperature, and the molecular structure of proteins becomes more compact. The study result is consistent with thermal shrinkage and wrinkling phenomenon of leather in macroscopic experiment.