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
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spelling ftpubmed:oai:pubmedcentral.nih.gov:1853160 2023-05-15T18:26:39+02:00 Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket Anselmi, Massimiliano Aschi, Massimiliano Di Nola, Alfredo Amadei, Andrea 2007-05-15 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 en eng Biophysical Society http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853160 http://www.ncbi.nlm.nih.gov/pubmed/17307822 http://dx.doi.org/10.1529/biophysj.106.098442 Copyright © 2007, Biophysical Society Biophysical Theory and Modeling Text 2007 ftpubmed https://doi.org/10.1529/biophysj.106.098442 2013-08-31T20:10:00Z 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. Text Sperm whale PubMed Central (PMC) Biophysical Journal 92 10 3442 3447
institution Open Polar
collection PubMed Central (PMC)
op_collection_id ftpubmed
language English
topic Biophysical Theory and Modeling
spellingShingle Biophysical Theory and Modeling
Anselmi, Massimiliano
Aschi, Massimiliano
Di Nola, Alfredo
Amadei, Andrea
Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket
topic_facet Biophysical Theory and Modeling
description 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.
format Text
author Anselmi, Massimiliano
Aschi, Massimiliano
Di Nola, Alfredo
Amadei, Andrea
author_facet Anselmi, Massimiliano
Aschi, Massimiliano
Di Nola, Alfredo
Amadei, Andrea
author_sort Anselmi, Massimiliano
title Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket
title_short Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket
title_full Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket
title_fullStr Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket
title_full_unstemmed Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket
title_sort theoretical characterization of carbon monoxide vibrational spectrum in sperm whale myoglobin distal pocket
publisher Biophysical Society
publishDate 2007
url 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
genre Sperm whale
genre_facet Sperm whale
op_relation http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853160
http://www.ncbi.nlm.nih.gov/pubmed/17307822
http://dx.doi.org/10.1529/biophysj.106.098442
op_rights Copyright © 2007, Biophysical Society
op_doi https://doi.org/10.1529/biophysj.106.098442
container_title Biophysical Journal
container_volume 92
container_issue 10
container_start_page 3442
op_container_end_page 3447
_version_ 1766208615077642240

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