| The theoretical study of one-carbon unit transfer with H_2O participation from imidazolidine to dUMP analogue |
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| 作者单位： | a，* |
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| 摘 要： | The ONIOM quantum mechanics method is used to study the reaction of one-carbon unit transfer from an imidazolidine to 6- aminouracil model with the participation of water molecules.The computation results show that in this reaction the participation of H_2O molecule makes the energy barrier lower because of the H-bond interaction.
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The theoretical study of one-carbon unit transfer with H2O participation from imidazolidine to dUMP analogue |
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| Chuan Song Qi,Wei Li,Xin Min Wu,Lei Xu,Da Cheng Feng. The theoretical study of one-carbon unit transfer with H2O participation from imidazolidine to dUMP analogue[J]. Chinese Chemical Letters, 2007, 18(9): 1159-1162 |
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| Authors: | Chuan Song Qi Wei Li Xin Min Wu Lei Xu Da Cheng Feng |
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| Abstract: | The ONIOM quantum mechanics method is used to study the reaction of one-carbon unit transfer from an imidazolidine to 6- aminouracil model with the participation of water molecules.The computation results show that in this reaction the participation of H_2O molecule makes the energy barrier lower because of the H-bond interaction. |
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| Keywords: | Folate cofactor One-carbon unit transfer ONIOM dUMP dTMP |
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