期刊
MACROMOLECULAR BIOSCIENCE
卷 7, 期 5, 页码 552-566出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mabi.200600278
关键词
biomaterials; mechanical properties; molecular modeling; nanomaterials; protein adsorption; surface wettability
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.
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