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Theoretical Investigation of Infrared Spectra and Pocket Dynamics of Photodissociated Carbonmonoxy Myoglobin

Molecular dynamics simulations of the photodissociated state of carbonmonoxy myoglobin (MbCO) are presented using a fluctuating charge model for CO. A new three-point charge model is fitted to high-level ab initio calculations of the dipole and quadrupole moment functions taken from the literature....

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Nutt, David R., Meuwly, Markus
Format: Artigo
Sprache:Inglês
Veröffentlicht: Biophysical Society 2003
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC1303666/
https://ncbi.nlm.nih.gov/pubmed/14645054
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