细胞色素c与氧化石墨烯的吸附研究

doi:10.7523/j.issn.2095-6134.2016.01.011

摘要/Abstract

摘要：

通过分子动力学模拟,研究细胞色素c在氧化石墨烯表面的吸附行为.结果表明,细胞色素c和氧化石墨烯之间有较强的结合趋势.均方根涨落及回转半径分析表明,部分体系的吸附构象与原始构象比较接近,但P3系统有着较大的偏离.这些结果表明,在某些构象中,氧化石墨烯可能将细胞色素c结构破坏.

关键词: 细胞色素c, 氧化石墨烯, 吸附, 分子动力学

Abstract:

Through molecular dynamic simulations, we have investigated the adsorption behavior of cytochrome c on graphene oxide. Results indicate that graphene oxide has a great binding affinity towards cytochrome c. Analyses of root mean square deviation and gyration radius show that there is a large structural damage occurring in system P3 among all the systems. Our study shows that graphene oxide has the ability to deteriorate the native structure of cytochrome c.

Key words: cytochrome c, graphene oxide, adsorption, molecular dynamics

中图分类号:

O642

张驰, 黄须啟, 李晓毅. 细胞色素c与氧化石墨烯的吸附研究[J]. 中国科学院大学学报, 2016, 33(1): 70-74.

ZHANG Chi, HUANG Xuqi, LI Xiaoyi. Adsorption of cytochrome c on graphene oxide: a molecular dynamic study[J]. , 2016, 33(1): 70-74.

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