Coarse-grained molecular dynamics and continuum models for the transport of protein molecules
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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| Main Author: | |
|---|---|
| Format: | Electronic Book Chapter |
| Language: | English |
| Published: |
Florence
Firenze University Press
2014
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| Series: | Premio Tesi di Dottorato
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| Subjects: | |
| Online Access: | DOAB: download the publication DOAB: description of the publication |
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| 245 | 1 | 0 | |a Coarse-grained molecular dynamics and continuum models for the transport of protein molecules |
| 260 | |a Florence |b Firenze University Press |c 2014 | ||
| 300 | |a 1 electronic resource (134 p.) | ||
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| 490 | 1 | |a Premio Tesi di Dottorato | |
| 506 | 0 | |a Open Access |2 star |f Unrestricted online access | |
| 520 | |a 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. | ||
| 540 | |a Creative Commons |f https://creativecommons.org/licenses/by/4.0/ |2 cc |4 https://creativecommons.org/licenses/by/4.0/ | ||
| 546 | |a English | ||
| 650 | 7 | |a Organic chemistry |2 bicssc | |
| 650 | 7 | |a Biochemistry |2 bicssc | |
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| 856 | 4 | 0 | |a www.oapen.org |u https://directory.doabooks.org/handle/20.500.12854/83133 |7 0 |z DOAB: description of the publication |