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Virtual Screening for Dipeptide Aggregation: Toward Predictive Tools for Peptide Self-Assembly
[Image: see text] Several short peptide sequences are known to self-assemble into supramolecular nanostructures with interesting properties. In this study, coarse-grained molecular dynamics is employed to rapidly screen all 400 dipeptide combinations and predict their ability to aggregate as a poten...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2011
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3688361/ https://www.ncbi.nlm.nih.gov/pubmed/23795243 http://dx.doi.org/10.1021/jz2010573 |