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Can I read Charge transfer through single- and double-strand DNAs: Simulations based on molecular dynamics and molecular orbital methods on EtoBox?
Charge transfer through single- and double-strand DNAs: Simulations based on molecular dynamics and molecular orbital methods by Ken-ichi Dedachi; Takayuki Natsume; Taisuke Nakatsu; Shigenori Tanaka; Yasuyuki Ishikawa; Noriyuki Kurita is a Physics and Astronomy article available to read on EtoBox.
What is Charge transfer through single- and double-strand DNAs: Simulations based on molecular dynamics and molecular orbital methods about?
To elucidate the difference in charge transfer through single-and double-strand DNAs, we performed simulations based on classical molecular dynamics (MD) and semiempirical molecular orbital (MO) methods. Stable structures of DNA strands in water were determined by MD simulations and their energy levels and distributions of frontier MOs that mediate charge transfer were analyzed by the MO calculations. The transfer integrals for a hole or an electron between the neighboring DNA bases were estimated from the energy levels of frontier MOs. We obtained the current-voltage characteristics for single-and double-strand DNAs that are qualitatively in agreement with the experimental results.
Who reads Charge transfer through single- and double-strand DNAs: Simulations based on molecular dynamics and molecular orbital methods?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Ken-ichi Dedachi; Takayuki Natsume; Taisuke Nakatsu; Shigenori Tanaka; Yasuyuki Ishikawa; Noriyuki Kurita
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 2007
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)