Paper Citing NAMD - Abstract
Giussani, Lara; Tabacchi, Gloria; Gianotti, Enrica; Coluccia, Salvatore; Fois, Ettore
Disentangling protein-silica interactions
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 370:1463-1477, MAR 28 2012
We present the results of modelling studies aimed at the understanding of the interaction of a 7nm sized water droplet containing a negatively charged globular protein with flat silica surfaces. We show how the droplet interaction with the surface depends on the electrostatic surface charge, and that adhesion of the droplet occurs when the surface is negatively charged as well. The key role of water and of the charge-balancing counter ions in mediating the surface-protein adhesion is highlighted. The relevance of the present results with respect to the production of bioinorganic hybrids via encapsulation of proteins inside mesoporous silica materials is discussed.
