Journal
MACROMOLECULAR BIOSCIENCE
Volume 7, Issue 5, Pages 552-566Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mabi.200600278
Keywords
biomaterials; mechanical properties; molecular modeling; nanomaterials; protein adsorption; surface wettability
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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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