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Comparison of Adsorption of Proteins at Di erent Sizes on Pristine Graphene and Graphene Oxide
Zuo-si Yu1, Yi-yi Gao1, Xiao-gang Wang1, Guo-quan Zhou1, Song-wei Zeng2, Jun-lang Chen1
1.School of Sciences, Zhejiang A & F University, Hangzhou 311300, China;2.School of Information and Industry, Zhejiang A & F University, Hangzhou 311300, China
Abstract:
Using all-atom molecular dynamics (MD) simulations, we have investigated the adsorption stability and conformation change of different proteins on the surface of pristine graphene (PG) and graphene oxide (GO). We find that: (i) with the cooperation of the electrostatic interactions between proteins and oxygen-containing groups, GO shows better adsorption stability than PG; (ii) the peptide loses its secondary structure on both PG and GO surface, and the a-helix structure of the protein fragment is partially broken on PG surface, but is well preserved on GO surface, while the secondary structure of globular protein has no distinct change on both PG and GO surface. In general, GO presents better biocompatibility than PG. Our results are of significant importance to understand the interactions between proteins and PG/GO and the applications of PG/GO in biotechnology and biomedicine.
Key words:  Graphene  Graphene oxide  Protein  Adsorption  Molecular dynamics simulation
FundProject:
不同尺度的蛋白质在纯石墨烯及氧化石墨烯表面的吸附比较
虞佐嗣1, 高依依1, 汪小刚1, 周国泉1, 曾松伟2, 陈均朗1
1.浙江农林大学理学院, 杭州 311300;2.浙江农林大学信息工程学院, 杭州 311300
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DOI:10.1063/1674-0068/31/cjcp1707138
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