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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Biophysical Society
2007
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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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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 |
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Open Polar |
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PubMed Central (PMC) |
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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 |
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1766208615077642240 |