摘要
丝蛋白纤维材料是具有普适意义的天然生物材料，具有优良的生物相容性、生物可降解性、低炎症反应和优秀的机械性能。文章通过分子模拟手段，使用NAMD模拟纤维肽链在水溶液中的平衡过程，验证其在水分子作用下向silk Ⅰ结构的变化过程，并通过拉伸分子动力学探索其变化的机理。
Silk protein fiber is a natural biological material with excellent biocompatibility, biodegradability, low inflammatory response and excellent mechanical properties. In the paper, process of fiber peptides in aqueous solution was simulated by molecular simulation method. The result verifies its structural changes to silk Ⅰ under the effect of water molecules, and the mechanism of change was also investigated by the tensile molecular dynamics.
基金
2014北服研究生创新项目（X2014-081）
