Mixed Quantum-Classical Methods for Molecular Simulations of Biochemical Reactions With Microwave Fields: The Case Study of Myoglobin
Apollonio,
F. Liberti,
M. Amadei,
A. Aschi,
M. Pellegrino,
M. D'Alessandro,
M. D'Abramo,
M. Di
Nola, A. d'Inzeo,
G.
This paper appears in: Microwave
Theory and Techniques, IEEE Transactions on
Publication
Date: Nov. 2008
Volume: 56 , Issue:
11 , Part 1
On page(s): 2511 - 2519
Number of Pages: 2511
- 2519
Location: Scottsdale, AZ, USA
ISSN: 0018-9480
Digital
Object Identifier: 10.1109/TMTT.2008.2005890
Current Version
Published: 2008-11-07
Abstract
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.