title: Understanding the performance of biomaterials through molecular modeling: crossing the bridge between their intrinsic properties and the surface adsorption of proteins.
abstract: 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.
authors.affiliation: Dipartimento di Chimica, Materiali e Ingegneria Chimica G. Natta, Politecnico, via L. Mancinelli 7, 20131 Milano, Italy.
authors.forename: Giuseppina
authors.initials: G
authors.lastname: Raffaini
authors.forename: Fabio
authors.initials: F
authors.lastname: Ganazzoli
mesh_terms: D000327:Adsorption; D001672:Biocompatible Materials / Q000737:chemistry*; D003198:Computer Simulation; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry; D011506:Proteins / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D001672:Biocompatible Materials; D011506:Proteins