The Time Scale of Electronic Resonance in Oxidized DNA as Modulated by Solvent Response: An MD/QM-MM Study
The time needed to establish electronic resonant conditions for charge transfer in oxidized DNA has been evaluated by molecular dynamics simulations followed by QM/MM computations which include counterions and a realistic solvation shell. The solvent response is predicted to take <i>ca.</i&...
| المؤلفون الرئيسيون: | , , |
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| التنسيق: | مقال |
| اللغة: | English |
| منشور في: |
MDPI AG
2021-09-01
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| سلاسل: | Molecules |
| الموضوعات: | |
| الوصول للمادة أونلاين: | https://www.mdpi.com/1420-3049/26/18/5497 |