蛋白质折叠计算机模拟研究进展

Advances on Computer Simulations of Protein Folding

蛋白质折叠过程中的结构变异可能导致"折叠病",比如老年痴呆症和多聚谷氨酰胺疾病等。因此蛋白质折叠研究对于揭示"折叠病"致病机理、指导药物设计等具有重大意义。文章阐述了蛋白质折叠计算机模拟研究的研究近况,分别介绍了蛋白质侧链研究、蛋白质折叠算法、蛋白质折叠病研究、蛋白质的分子动力学模拟和蛋白质结构预测等几个方面。

Protein misfolding leads to many diseases, such as Alzhemizer disease and polyQ diseases, etc. Protein folding is vital for the mechanism study of folding-related diseases. In this paper, several aspects in protein folding were reviewed, including the side chain ordering, computational algorithms for protein folding, folding diseases, molecular dynamics simulation and structure prediction.