 | | | | | Abstract: We have developed the methodologies for analyzing the electronic states and stable structures of DNA systems from first principles on the basis of computational tools such as fragment molecular orbital and charge equilibration methods. We have thus analyzed the electron transfer or transport properties of DNA which have recently attracted considerable attention in the context of environmental biology and nanotechnology. In addition, we have attempted the elucidation of the mechanism of transcriptional regulation in which the specific molecular recognition between DNA and proteins plays a vital role. |
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