Molecular simulations predict novel collagen conformations during cross-link loading.

ABSTRACT: 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.

SUBMITTER: Bourne JW 

PROVIDER: S-EPMC3148790 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature