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A Milestoning Study of the Kinetics of an Allosteric Transition: Atomically Detailed Simulations of Deoxy Scapharca Hemoglobin
Atomically detailed simulations are used to compute the kinetics of the R-to-T transition in deoxy Scapharca hemoglobin. A computational approach called milestoning is utilized that combines 1), an efficient reaction path algorithm; and 2), a “fragment and glue” approach for classical trajectories....
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| Hovedforfatter: | |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Biophysical Society
2007
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1852362/ https://ncbi.nlm.nih.gov/pubmed/17325010 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.101899 |
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