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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 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.

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Detail Information
Series Title
Premio Tesi di Dottorato,
Call Number
-
Publisher
www.fupress.com/ : Firenze University Press.,
Collation
oer.unej.ac.id
Language
English
ISBN/ISSN
9788866556947,
Classification
NONE
Content Type
text
Media Type
computer
Carrier Type
online resource
Edition
-
Subject(s)
Protein
protein molecules
Specific Detail Info
-
Statement of Responsibility
Other Information
Cataloger
-
Source
https://directory.doabooks.org/handle/20.500.12854/83133
Validator
Suwardi
Digital Object Identifier (DOI)
10.36253/978-88-6655-694-7
Journal Volume
-
Journal Issue
-
Subtitle
-
Parallel Title
-
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