Computational Design of a Collagen A:B:C-Type Heterotrimer
Journal of the American Chemical Society2011Vol. 133(39), pp. 15260–15263
Citations Over TimeTop 14% of 2011 papers
Abstract
We have successfully designed an A:B:C collagen peptide heterotrimer using an automated computational approach. The algorithm maximizes the energy gap between the target and competing misfolded states while enforcing a minimum target stability. Circular dichroism (CD) measurements confirm that all three peptides are required to form a stable, structured triple helix. This study highlights the power of automated computational design, providing model systems to probe the biophysics of collagen assembly and developing general methods for the design of fibrous proteins.
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