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Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation

We present molecular dynamics simulations of unliganded human hemoglobin (Hb) A under physiological conditions, starting from the R, R2, and T state. The simulations were carried out with protonated and deprotonated HC3 histidines His(β)146, and they sum up to a total length of 5.6µs. We observe spo...

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Detalles Bibliográficos
Autores principales:	Hub, Jochen S., Kubitzki, Marcus B., de Groot, Bert L.
Formato:	Texto
Lenguaje:	English
Publicado:	Public Library of Science 2010
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2865513/ https://www.ncbi.nlm.nih.gov/pubmed/20463873 http://dx.doi.org/10.1371/journal.pcbi.1000774

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