Abstract

In this paper, the microscopic spatial structure change of natural leather collagen III (i.e. 1bkv collagen) was simulated using Tinker software. The dynamics of the process for 1bkv [amino acid sequence number of Type III collagen] collagen was simulated at 300K, 320K, 340K and 360K, Through a series of analyses we find that Rg (radius of gyration) of all of the atoms of 1bkv collagen molecules increases with the increase of chosen temperature, and its average value decreases from 24.9Å to 21.0Å. Considering this along with the simulation trajectory of dynamics at different temperatures, people can find that the molecular chains of collagen gradually will become curved, and there’s a large degree of bending at 360K. This is further evidence that the atomic distance between collagen molecules is getting smaller with the increase of the experimental set temperature, and it can also explain the mechanism of performance degradation of natural leather.