Charge Transport in DNA - Insights from Simulations

• Tác giả: Mario Wolter
• Ngôn ngữ: eng
• ISBN-13: 978-3731500827
• ISBN: KSP/1000036065
• Ký hiệu phân loại: 570 Life sciences Biology
• Thông tin xuất bản: Karlsruhe : KIT Scientific Publishing, 2013
• Mô tả vật lý: 1 electronic resource (VI, 139 p. p.)
• Bộ sưu tập: Tài liệu truy cập mở
• ID: 230971

Tóm tắt

Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements.