Charge Transport in DNA - Insights from Simulations
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...
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| Médium: | Online |
| Jazyk: | angličtina |
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KIT Scientific Publishing
2021
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| Témata: | |
| On-line přístup: | 35184 |
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| _version_ | 1869522757227642880 |
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| author | Wolter, Mario |
| author_browse | Wolter, Mario |
| author_facet | Wolter, Mario |
| author_sort | Wolter, Mario |
| collection | Directory of Open Access Books |
| description | 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. |
| format | Online |
| id | doab-20.500.12854ir-43023 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2021 |
| publishDateRange | 2021 |
| publishDateSort | 2021 |
| publisher | KIT Scientific Publishing |
| publisherStr | KIT Scientific Publishing |
| record_format | ojs |
| spelling | doab-20.500.12854ir-430232024-04-05T12:39:25Z Charge Transport in DNA - Insights from Simulations Wolter, Mario QD1-999 Charge Transfer Molecular Dynamics Charge Transport Quantum Mechanics DNA thema EDItEUR::P Mathematics and Science::PN Chemistry 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. 2021-02-11T09:43:51Z 2021-02-11T09:43:51Z 2019-07-30 20:02:00 2013 book 35184 9783731500827 https://directory.doabooks.org/handle/20.500.12854/43023 eng image/jpeg Attribution-ShareAlike 4.0 International https://www.ksp.kit.edu/9783731500827 KIT Scientific Publishing 10.5445/KSP/1000036065 10.5445/KSP/1000036065 68fffc18-8f7b-44fa-ac7e-0b7d7d979bd2 9783731500827 VI, 139 p. open access |
| spellingShingle | QD1-999 Charge Transfer Molecular Dynamics Charge Transport Quantum Mechanics DNA thema EDItEUR::P Mathematics and Science::PN Chemistry Wolter, Mario Charge Transport in DNA - Insights from Simulations |
| title | Charge Transport in DNA - Insights from Simulations |
| title_full | Charge Transport in DNA - Insights from Simulations |
| title_fullStr | Charge Transport in DNA - Insights from Simulations |
| title_full_unstemmed | Charge Transport in DNA - Insights from Simulations |
| title_short | Charge Transport in DNA - Insights from Simulations |
| title_sort | charge transport in dna insights from simulations |
| topic | QD1-999 Charge Transfer Molecular Dynamics Charge Transport Quantum Mechanics DNA thema EDItEUR::P Mathematics and Science::PN Chemistry |
| topic_facet | QD1-999 Charge Transfer Molecular Dynamics Charge Transport Quantum Mechanics DNA thema EDItEUR::P Mathematics and Science::PN Chemistry |
| url | 35184 |
| work_keys_str_mv | AT woltermario chargetransportindnainsightsfromsimulations |