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Understanding the Performance of Biomaterials through Molecular Modeling: Crossing the Bridge between their Intrinsic Properties and the Surface Adsorption of Proteins
Author(s) -
Raffaini Giuseppina,
Ganazzoli Fabio
Publication year - 2007
Publication title -
macromolecular bioscience
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.924
H-Index - 105
eISSN - 1616-5195
pISSN - 1616-5187
DOI - 10.1002/mabi.200600278
Subject(s) - physisorption , nanotechnology , adsorption , nanomaterials , carbon nanotube , molecular dynamics , materials science , fullerene , surface (topology) , protein adsorption , chemistry , chemical physics , computational chemistry , organic chemistry , geometry , mathematics
Molecular modeling and computer simulations can yield significant new insight at the atomistic level about the performance of biomaterials in a biological environment. In this paper, we review our approach to a consistent theoretical picture of the bulk and surface properties of biomaterials. The predicted properties do encompass in particular the mechanical behavior and the surface hydration of these materials, and the surface physisorption of proteins, or polypeptides in general. The behavior of nanomaterials such as the carbon allotropes, nanotubes and fullerenes, in a biological environment is also briefly considered.