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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Published in:Biophysical Journal
Main Authors: Anselmi, M, Aschi, M, Di Nola, A, AMADEI, ANDREA
Other Authors: Amadei, A
Format: Article in Journal/Newspaper
Language:English
Published: Rockefeller University Press 2007
Subjects:
Settore CHIM/02 - CHIMICA FISICA
Sperm whale
Online Access:http://hdl.handle.net/2108/19497
https://doi.org/10.1529/biophysj.106.098442
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spelling ftunivromatorver:oai:art.torvergata.it:2108/19497 2024-02-27T08:45:41+00:00 Theoretical characterization of carbon monoxide vibrational spectrum in Sperm Whale Myoglobin distal pocket Anselmi, M Aschi, M Di Nola, A AMADEI, ANDREA Anselmi, M Aschi, M Di Nola, A Amadei, A 2007 http://hdl.handle.net/2108/19497 https://doi.org/10.1529/biophysj.106.098442 eng eng Rockefeller University Press info:eu-repo/semantics/altIdentifier/pmid/17307822 info:eu-repo/semantics/altIdentifier/wos/WOS:000245852600010 volume:92 issue:10 firstpage:3442 lastpage:3447 journal:BIOPHYSICAL JOURNAL http://hdl.handle.net/2108/19497 doi:10.1529/biophysj.106.098442 info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-34247849393 Settore CHIM/02 - CHIMICA FISICA info:eu-repo/semantics/article 2007 ftunivromatorver https://doi.org/10.1529/biophysj.106.098442 2024-01-31T00:04:26Z 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. Article in Journal/Newspaper Sperm whale Universitá degli Studi di Roma "Tor Vergata": ART - Archivio Istituzionale della Ricerca Biophysical Journal 92 10 3442 3447
institution Open Polar
collection Universitá degli Studi di Roma "Tor Vergata": ART - Archivio Istituzionale della Ricerca
op_collection_id ftunivromatorver
language English
topic Settore CHIM/02 - CHIMICA FISICA
spellingShingle Settore CHIM/02 - CHIMICA FISICA
Anselmi, M
Aschi, M
Di Nola, A
AMADEI, ANDREA
Theoretical characterization of carbon monoxide vibrational spectrum in Sperm Whale Myoglobin distal pocket
topic_facet Settore CHIM/02 - CHIMICA FISICA
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.
author2 Anselmi, M
Aschi, M
Di Nola, A
Amadei, A
format Article in Journal/Newspaper
author Anselmi, M
Aschi, M
Di Nola, A
AMADEI, ANDREA
author_facet Anselmi, M
Aschi, M
Di Nola, A
AMADEI, ANDREA
author_sort Anselmi, M
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 Rockefeller University Press
publishDate 2007
url http://hdl.handle.net/2108/19497
https://doi.org/10.1529/biophysj.106.098442
genre Sperm whale
genre_facet Sperm whale
op_relation info:eu-repo/semantics/altIdentifier/pmid/17307822
info:eu-repo/semantics/altIdentifier/wos/WOS:000245852600010
volume:92
issue:10
firstpage:3442
lastpage:3447
journal:BIOPHYSICAL JOURNAL
http://hdl.handle.net/2108/19497
doi:10.1529/biophysj.106.098442
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-34247849393
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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