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 protein–tube 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.
M. Calvaresi, S. Hoefinger, F. Zerbetto (2012). Probing the Structure of Lysozyme–Carbon-Nanotube Hybrids with Molecular Dynamics. CHEMISTRY-A EUROPEAN JOURNAL, 18, 4308-4313 [10.1002/chem.201102703].
Probing the Structure of Lysozyme–Carbon-Nanotube Hybrids with Molecular Dynamics
CALVARESI, MATTEO;HOEFINGER, SIEGFRIED;ZERBETTO, FRANCESCO
2012
Abstract
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 protein–tube 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
