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Structural Assignment of Spectra by Characterization of Conformational Substates in Bound MbCO

Residue motions of the distal heme pocket and bound CO ligand of carbonmonoxy Myoglobin are studied using a combination of molecular dynamics simulations and quantum chemical methods. Using mixed quantum mechanics/molecular mechanics calculations together with sampling from molecular dynamics simula...

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Détails bibliographiques
Auteurs principaux: Devereux, Michael, Meuwly, Markus
Format: Artigo
Langue:Inglês
Publié: The Biophysical Society 2009
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC2711460/
https://ncbi.nlm.nih.gov/pubmed/19486661
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2009.01.064
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