Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains
We report the application of Langevin dynamics to the physics-based united-residue (UNRES) force field developed in our laboratory. Ten trajectories were run on seven proteins [PDB ID codes 1BDD (α; 46 residues), 1GAB (α; 47 residues), 1LQ7 (α; 67 residues), 1CLB (α; 75 residues), 1E0L (β; 28 residu...
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| Udgivet i: | Proc Natl Acad Sci U S A |
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| Principais autores: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
2005
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC548970/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/15677316/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.0408885102 |
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