Carbon-nanotube-based Artificial Peptide Channel: Transportation of Small Peptide Under External Electric Field Force

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標題:	Carbon-nanotube-based Artificial Peptide Channel: Transportation of Small Peptide Under External Electric Field Force
作者:	Wang, Yeng-Tseng Lee, Wen-Jay Su, Zhi-Yuan Chen, Cheng-Lung
貢獻者:	資訊管理系
關鍵字:	Carbon nanotubes Molecular dynamics Mastoparan-X peptide
日期:	2011-09
上傳時間:	2013-09-28 16:25:33 (UTC+8)
出版者:	Elsevier
摘要:	Transport of molecules through macromolecular pores is of considerable importance in many biological systems and nanoscale biosensors. In recent years, engineered carbon nanotubes (CNTs) have been developed to function as protein toxin transporters. We present molecular dynamics simulation of the small mastoparan-X peptide transporting through the single-walled CNT (SWCNT) under application of an external electric field force. The molecules studied include a small mastoparan-X peptide, a finite segment of carbon nanotube, and TIP3 water molecules. The external electric field vectors are 1.0, 2.0, 3.0, 4.0, and 10.0 kcal/(mol Å e), respectively. We show that under the external electric field vector of 1.0 kcal/(mol Å e), the transportation of mastoparan-X peptide through SWCNT was accomplished within 12 ns. Our results also show more external electric field vectors would speed up the transportation process.
關聯:	Journal of the Taiwan Institute of Chemical Engineers 42(5), pp.724-726
显示于类别:	[資訊管理系] 期刊論文

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