Mixed Quantum-Classical Methods for Molecular Simulations of Biochemical Reactions With Microwave Fields: The Case Study of Myoglobin

被引：31

作者：

Apollonio, Francesca ^{[1
]}

Liberti, Micaela ^{[1
]}

Amadei, Andrea ^{[2
]}

Aschi, Massimiliano ^{[3
]}

Pellegrino, Monica ^{[1
]}

D'Alessandro, Maira ^{[2
]}

D'Abramo, Marco ^{[4
]}

Di Nola, Alfredo ^{[4
]}

d'Inzeo, Gughelmo ^{[1
]}

机构：

[1] Univ Roma La Sapienza, Dept Elect Engn, Italian Inter Univ Ctr Electromagnet Fields & Bio, I-00184 Rome, Italy

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

[3] Univ Aquila, Dept Chem Chem Engn & Mat, I-67010 Coppito, Italy

[4] Univ Roma La Sapienza, Dept Chem, I-00185 Rome, Italy

来源：

IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES | 2008年 / 56卷 / 11期

关键词：

Bioelectromagnetics; microwaves bio-effects; molecular simulations; myoglobin;

D O I：

10.1109/TMTT.2008.2005890

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Contradictory data in the huge literature on microwaves bio-effects may result from a poor understanding of the mechanisms of interaction between microwaves and biological systems. Molecular simulations of biochemical processes seem to be a promising tool to comprehend microwave induced bio-effects. Molecular simulations of classical and quantum events involved in relevant biochemical processes enable to follow the dynamic evolution of a biochemical reaction in the presence of microwave fields. In this paper, the action of a microwave signal (1 GHz) on the covalent binding process of a ligand (carbon monoxide) to a protein (myoglobin) has been studied. Our results indicate that microwave fields, with intensities much below the atomic/molecular electric interactions, cannot affect such biochemical process.

引用

页码：2511 / 2519

页数：9

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