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The distal residue-CO interaction in carbonmonoxy myoglobins: a molecular dynamics study of two distal histidine tautomers.

Four independent 90 ps molecular dynamics simulations of sperm-whale wild-type carbonmonoxy myoglobin (MbCO) have been calculated using a new AMBER force field for the haem prosthetic group. Two trajectories have the distal 64N delta nitrogen protonated, and two have the 64N epsilon nitrogen protona...

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Detalles Bibliográficos
Autores principales: Jewsbury, P, Kitagawa, T
Formato: Artigo
Lenguaje:Inglês
Publicado: 1994
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC1225607/
https://ncbi.nlm.nih.gov/pubmed/7696465
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