CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Adsorption of Villin Headpiece onto Graphene, Carbon Nanotube, and C60: Effect of Contacting Surface Curvatures on Binding Affinity
Zuo, Guanghong; Zhou, Xin; Huang, Qing(黄庆); Fang, Haiping(方海平); Zhou, Ruhong
2011
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume115Issue:47Pages:23323
AbstractThe adsorption of protein villin headpiece (HP35) onto a graphene has been investigated using large scale molecular dynamics simulations, and the results are compared with similar adsorptions onto a single-wall carbon nanotube and a fullerene, C60. It is found that HP35 loses most of its native secondary and tertiary structures after the adsorption onto graphene. The pi-pi stacking interactions between the graphene and HP35's aromatic residues play a key role in this adsorption. The graphene's softness also helps the binding by adapting its own shape to fit better with aromatic residues in forming stronger pi-pi stacking interactions. Interestingly, the mechanism of HP35 adsorption onto the other two graphitic nanomaterials is found to be somewhat different, in which the pi-pi stacking interactions play a lesser role than the dispersion interactions between the nanomaterial and HP35's aliphatic side chains. These findings indicate that in addition to the chemical composition, the shape of the nanoparticle is also an important factor in determining its interaction with proteins: the contacting surface curvature can lead to different adsorption mechanisms.
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000297195200011
Citation statistics
Cited Times:136[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/9455
Collection中科院上海应用物理研究所2011-2019年
Recommended Citation
GB/T 7714
Zuo, Guanghong,Zhou, Xin,Huang, Qing,et al. Adsorption of Villin Headpiece onto Graphene, Carbon Nanotube, and C60: Effect of Contacting Surface Curvatures on Binding Affinity[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2011,115(47):23323.
APA Zuo, Guanghong,Zhou, Xin,Huang, Qing,Fang, Haiping,&Zhou, Ruhong.(2011).Adsorption of Villin Headpiece onto Graphene, Carbon Nanotube, and C60: Effect of Contacting Surface Curvatures on Binding Affinity.JOURNAL OF PHYSICAL CHEMISTRY C,115(47),23323.
MLA Zuo, Guanghong,et al."Adsorption of Villin Headpiece onto Graphene, Carbon Nanotube, and C60: Effect of Contacting Surface Curvatures on Binding Affinity".JOURNAL OF PHYSICAL CHEMISTRY C 115.47(2011):23323.
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