| CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Interaction between a Functionalized Single-Walled Carbon Nanotube and the YAP65WW Protein Domain: a Molecular Dynamics Simulation Study |
| DOU Quan-Tao1, ZUO Guang-Hong 2, FANG Hai-Ping1,2** |
1T-Life Research Center, Department of Physics, Fudan University, Shanghai 200433
2Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 |
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| Cite this article: |
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DOU Quan-Tao, ZUO Guang-Hong, FANG Hai-Ping 2012 Chin. Phys. Lett. 29 068701 |
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Abstract The interaction between a functionalized single-walled carbon nanotube (f-SWCNT) and the YAP65WW protein domain is investigated by using molecular dynamics simulations. It is found that the f-SWCNT binds onto the active site of the YAP65WW domain and leads to a substantial conformational change of the protein domain, which may securely affect the original function of protein. Both the hydrophobic interaction and the long lifetime hydrogen bonds play important roles in the binding.
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Received: 06 February 2012
Published: 31 May 2012
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| PACS: |
87.15.H-
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(Dynamics of biomolecules)
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87.15.K-
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(Molecular interactions; membrane-protein interactions)
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87.64.Aa
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(Computer simulation)
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