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All-atom molecular dynamics analysis of multi-peptide systems reproduces peptide solubility in line with experimental observations
In order to investigate the contribution of individual amino acids to protein and peptide solubility, we carried out 100 ns molecular dynamics (MD) simulations of 10(6) Å(3) cubic boxes containing ~3 × 10(4) water molecules and 27 tetra-peptides regularly positioned at 23 Å from each other and compo...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4730209/ https://www.ncbi.nlm.nih.gov/pubmed/26817663 http://dx.doi.org/10.1038/srep19479 |