Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket

In this article we use the perturbed matrix method and an extended molecular dynamics sampling of the carbon monoxide (CO) in the myoglobin distal pocket to characterize the CO vibrational spectrum and hence to relate its spectroscopic features with the atomic-molecular behavior. Results show the ac...

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Bibliographic Details
Published in:Biophysical Journal
Main Authors: Anselmi, Massimiliano, Aschi, Massimiliano, Di Nola, Alfredo, Amadei, Andrea
Format: Text
Language:English
Published: Biophysical Society 2007
Subjects:
Biophysical Theory and Modeling
Sperm whale
Online Access:http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853160
http://www.ncbi.nlm.nih.gov/pubmed/17307822
https://doi.org/10.1529/biophysj.106.098442
Description
Summary:In this article we use the perturbed matrix method and an extended molecular dynamics sampling of the carbon monoxide (CO) in the myoglobin distal pocket to characterize the CO vibrational spectrum and hence to relate its spectroscopic features with the atomic-molecular behavior. Results show the accuracy of the method employed and confirm the assignment of the spectroscopic B1 and B2 states proposed by Lim et al.

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