[仿真]Mixed Quantum-Classical Methods for Molecular Simulations of Biochemical Reactions

Abstract—Contradictory data in the huge literature on microwaves ssX6kgq_(  
bio-effects may result from a poor understanding of the S,Wl)\  
mechanisms of interaction between microwaves and biological h
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systems. Molecular simulations of biochemical processes seem to Z_V&IQo-7  
be a promising tool to comprehend microwave induced bio-effects. f-v ND'@  
Molecular simulations of classical and quantum events involved *VC4s`<  
in relevant biochemical processes enable to follow the dynamic
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evolution of a biochemical reaction in the presence of microwave o eJC  
fields. In this paper, the action of a microwave signal (1 GHz) on jU4)zN/`r  
the covalent binding process of a ligand (carbon monoxide) to a ^W[B[Y<k  
protein (myoglobin) has been studied. Our results indicate that j&[3Be'pQ  
microwave fields, with intensities much below the atomic/molecular Q0q)n=i}]  
electric interactions, cannot affect such biochemical process.
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molecular simulations

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