Theoretical characterization of carbon monoxide vibrational spectrum in sperm whale myoglobin distal pocket

被引：24

作者：

Anselmi, Massimiliano

Aschi, Massimiliano

Di Nola, Alfredo

Amadei, Andrea

机构：

[1] Univ Roma Tor Vergata, Dept Chem, I-00133 Rome, Italy

[2] Univ Aquila, Dept Chem Chem Engn & Mat, Laquila, Italy

[3] Univ Roma Tor Vergata, Dept Chem, Rome, Italy

来源：

BIOPHYSICAL JOURNAL | 2007年 / 92卷 / 10期

关键词：

D O I：

10.1529/biophysj.106.098442

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

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 B-1 and B-2 states proposed by Lim et al.

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页码：3442 / 3447

页数：6

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