期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 133, 期 39, 页码 15260-15263出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja205597g
关键词
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资金
- NIH [DP2 OD006478-01]
- NSF [DMR-0907273]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0907273] Funding Source: National Science Foundation
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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