Probing the Structure of Lysozyme-Carbon-Nanotube Hybrids with Molecular Dynamics

被引：83
|
作者：
Calvaresi, Matteo [1 ]
Hoefinger, Siegfried [1 ]
Zerbetto, Francesco [1 ]
机构：
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
来源：
CHEMISTRY-A EUROPEAN JOURNAL | 2012年 / 18卷 / 14期
关键词：
carbon; lysozyme; molecular dynamics; nanotechnology; nanotubes; solvation; EGG-WHITE LYSOZYME; PROTEINS; WATER; RECOGNITION; PEPTIDE; DOCKING; SURFACE; FUNCTIONALIZATION; THERAPEUTICS; DISPERSIONS;
D O I：
10.1002/chem.201102703
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Lysozyme has been successfully used to solvate carbon nanotubes (CNT). Extensive molecular dynamics simulations show that 1) a favorite site of adsorption exists, 2) the proteintube interaction region is located far from the active site, 3) two protein helices act as a tweezer that grips the nanotube, 4) a localized protein re-arrangement hides the tube from the solvent, and 5) aminic and amidic moieties of lysozyme behave similarly to surfactants in the solvation of the tube.
引用
收藏
页码：4308 / 4313
页数：6
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