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

Abstract—Contradictory data in the huge literature on microwaves Du){rVY^d  
bio-effects may result from a poor understanding of the 4X|zmr:A  
mechanisms of interaction between microwaves and biological ReeH@.74  
systems. Molecular simulations of biochemical processes seem to WuW^GC{7  
be a promising tool to comprehend microwave induced bio-effects. ;*&-C9b  
Molecular simulations of classical and quantum events involved ;A!BVq  
in relevant biochemical processes enable to follow the dynamic ,7b[!#?8  
evolution of a biochemical reaction in the presence of microwave OZ!^ak  
fields. In this paper, the action of a microwave signal (1 GHz) on #3d(M  
the covalent binding process of a ligand (carbon monoxide) to a cCc(fF*^  
protein (myoglobin) has been studied. Our results indicate that wlmRe`R  
microwave fields, with intensities much below the atomic/molecular 29q _BR *:  
electric interactions, cannot affect such biochemical process.
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molecular simulations

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