9788866556947.pdf
The present work makes use of coarse-grained molecular dynamics simulations and continuum models to investigate the behavior of biomolecules in experiments such as mechanical pulling and driven transport across nanopores. The approach reproduces the wide phenomenology of experiments and allows one t...
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Firenze University Press
2022
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| Διαθέσιμο Online: | https://books.fupress.com/isbn/9788866556947 |
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oapen-20.500.12657-55155 |
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oapen-20.500.12657-551552022-06-01T03:14:01Z Coarse-grained molecular dynamics and continuum models for the transport of protein molecules Bacci, Marco bic Book Industry Communication::P Mathematics & science::PN Chemistry::PNN Organic chemistry bic Book Industry Communication::P Mathematics & science::PS Biology, life sciences::PSB Biochemistry The present work makes use of coarse-grained molecular dynamics simulations and continuum models to investigate the behavior of biomolecules in experiments such as mechanical pulling and driven transport across nanopores. The approach reproduces the wide phenomenology of experiments and allows one to maintain the main features of the transport by modeling the process as a 1D dynamics in a suited potential of the mean force. The standard 1D continuum view is enriched by proposing a model for the description of the shape of isolated molecules based on a tensorial representation and Cauchy-Born rule. Results indicate limitations for unconstrained dynamics and appropriateness for driven ones. 2022-05-31T10:22:28Z 2022-05-31T10:22:28Z 2014 book ONIX_20220531_9788866556947_439 2612-8020 9788866556947 9788866556930 9788892734173 https://library.oapen.org/handle/20.500.12657/55155 eng Premio Tesi di Dottorato application/pdf Attribution 4.0 International 9788866556947.pdf https://books.fupress.com/isbn/9788866556947 Firenze University Press 10.36253/978-88-6655-694-7 10.36253/978-88-6655-694-7 bf65d21a-78e5-4ba2-983a-dbfa90962870 9788866556947 9788866556930 9788892734173 44 134 Florence open access |
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OAPEN |
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English |
| description |
The present work makes use of coarse-grained molecular dynamics simulations and continuum models to investigate the behavior of biomolecules in experiments such as mechanical pulling and driven transport across nanopores. The approach reproduces the wide phenomenology of experiments and allows one to maintain the main features of the transport by modeling the process as a 1D dynamics in a suited potential of the mean force. The standard 1D continuum view is enriched by proposing a model for the description of the shape of isolated molecules based on a tensorial representation and Cauchy-Born rule. Results indicate limitations for unconstrained dynamics and appropriateness for driven ones. |
| title |
9788866556947.pdf |
| spellingShingle |
9788866556947.pdf |
| title_short |
9788866556947.pdf |
| title_full |
9788866556947.pdf |
| title_fullStr |
9788866556947.pdf |
| title_full_unstemmed |
9788866556947.pdf |
| title_sort |
9788866556947.pdf |
| publisher |
Firenze University Press |
| publishDate |
2022 |
| url |
https://books.fupress.com/isbn/9788866556947 |
| _version_ |
1771297538427584512 |
