Bourne, Jonathan W.; Torzilli, Peter A.
Molecular simulations predict novel collagen conformations during cross-link loading
MATRIX BIOLOGY, 30:356-360, JUN 2011

Collagen cross-linking mechanically strengthens tissues during development and aging, but there is limited data describing how force transmitted across cross-links affects molecular conformation. We used Steered Molecular Dynamics (SMD) to model perpendicular force through a side chain. Results predicted that collagen peptides have negligible bending resistance and that mechanical force causes helix disruption below covalent bond failure strength, suggesting alternative molecular conformations precede cross-link rupture and macroscopic damage during mechanical loading. (C) 2011 Elsevier B.V. All rights reserved.

DOI:10.1016/j.matbio.2011.03.010

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