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Quantitative Analysis of Ligand Migration from Transition Networks
In this work we use transition network analysis for the first time to investigate ligand migration in truncated hemoglobin (trHbN) and obtain kinetic information about the docking-site dynamics in the protein. A comparison with explicit water molecular dynamics simulations (100 ns in total) shows th...
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| Hauptverfasser: | , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
The Biophysical Society
2010
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3000489/ https://ncbi.nlm.nih.gov/pubmed/21156139 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.09.068 |
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