Development of the ABEEMσπ Polarization Force Field for Base Pairs with Amino Acid Residue Complexes

DNA damage caused by oxidized bases can lead to aging and cancer in living beings. Luckily, a repair enzyme is able to repair the oxidized bases. The key step is to accurately recognize the oxidized bases, which mainly rely on complex hydrogen bond interactions. We have calibrated the charge paramet...

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Veröffentlicht in:Journal of chemical theory and computation 2017-05, Vol.13 (5), p.2098-2111
Hauptverfasser: Liu, Cui, Li, Yue, Han, Bing-Yu, Gong, Li-Dong, Lu, Li-Nan, Yang, Zhong-Zhi, Zhao, Dong-Xia
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Sprache:eng
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