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Instantaneous Normal Modes as an Unforced Reaction Coordinate for Protein Conformational Transitions
We present a novel sampling approach to explore large protein conformational transitions by determining unique substates from instantaneous normal modes calculated from an elastic network model, and applied to a progression of atomistic molecular dynamics snapshots. This unbiased sampling scheme all...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2872262/ https://ncbi.nlm.nih.gov/pubmed/20483345 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.01.044 |
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