title: Computational design of a collagen A:B:C-type heterotrimer.
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.
authors: Department of Biochemistry,  Robert Wood Johnson Medical School, UMDNJ  and the Center for Advanced Biotechnology and Medicine, Piscataway, New Jersey 08854, United States.
authors: Fei
authors: F
authors: Xu
authors: Sohail
authors: S
authors: Zahid
authors: Teresita
authors: T
authors: Silva
authors: Vikas
authors: V
authors: Nanda
mesh_terms: D000595:Amino Acid Sequence; D024042:Collagen Type I / Q000737:chemistry; D024043:Collagen Type II / Q000737:chemistry; D024061:Collagen Type III / Q000737:chemistry; D015195:Drug Design; D024022:Fibrillar Collagens / Q000737:chemistry*; D008969:Molecular Sequence Data; D055503:Protein Multimerization; D020836:Protein Structure, Quaternary
chemical_list: D024042:Collagen Type I; D024043:Collagen Type II; D024061:Collagen Type III; D024022:Fibrillar Collagens