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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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Detalles Bibliográficos
Autor Principal: Elber, Ron
Formato: Artigo
Idioma:Inglês
Publicado: Biophysical Society 2007
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Acceso en liña: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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