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Molecular Dynamics with the United-Residue (UNRES) Force Field. Ab initio Folding Simulations of Multi-chain Proteins
The implementation of molecular dynamics with the United-Residue (UNRES) force field is extended to treat multi-chain proteins. Constant temperature was maintained in the simulations with Berendsen or Langevin thermostats. The method was tested on three α-helical proteins [1G6U and GCN4-p1, each wit...
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| Autores principales: | , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2007
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2597722/ https://ncbi.nlm.nih.gov/pubmed/17201452 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp065810x |
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