运用物理学研究初级蛋白质的折叠问题

Study of the folding problem in the primary protein by applied physics

运用物理中的刚体模型对9个丙氨酸饱和多肽链的分子结构定义成21个刚体进行刚体动力学模拟,与它的全原子模型结构的全原子模拟进行对比.通过对模拟轨迹的分析,刚体模型的模拟结果得到了快速稳定的?螺旋结构,其结果要总体优于全原子模拟.由物理学中刚体模型的应用,加速了对蛋白质折叠的研究,由此可以看出,物理学可以推广至更多学科的研究之中.

The molecular structure of saturated poly-alanine can be redefined as rigid model with rigid body dynamics simulation.Rigid body dynamics simulation results compared with all-atom simulation,the results show that rigid body model of the simulation results obtained fast and stable helical structure.It′s show a better simulation of the former.By the application of rigid body model physics,accelerate the study of protein folding,thus it can be seen that the study of physics can be extended to more subjects.