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Folding of Small Proteins Using Constrained Molecular Dynamics
The focus of this paper is to examine whether conformational search using constrained molecular dynamics (MD) method is more enhanced and enriched towards “native-like” structures compared to all-atom MD for the protein folding as a model problem. Constrained MD methods provide an alternate MD tool...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3124276/ https://ncbi.nlm.nih.gov/pubmed/21591767 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp200414z |
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