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

页码：4308 / 4313

页数：6

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