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Predicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow protein
Understanding the dynamics of large-scale conformational changes in proteins still poses a challenge for molecular simulations. We employ transition path sampling of explicit solvent molecular dynamics trajectories to obtain atomistic insight in the reaction network of the millisecond timescale part...
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| Autors principals: | , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2010
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2823881/ https://ncbi.nlm.nih.gov/pubmed/20133754 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0908754107 |
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