Coarse-grained molecular dynamics and continuum models for the transport of protein molecules
- Marco Bacci,
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.
- DOI: 10.36253/978-88-6655-694-7
- Series: Premio Tesi di Dottorato
- Scientific Board
- Language: English
- Subjects: Biochemistry Chemistry
University of Zurich , Switzerland
- Publication Year: 2014
- Pages: 134
- eISBN: 978-88-6655-694-7
- Content License: CC BY 4.0
- © 2014 Author(s)
- Publication Year: 2014
- Pages: 134
- ISBN: 978-88-6655-693-0
- Content License: CC BY 4.0
- © 2014 Author(s)
Bibliographic Information
Book Title
Coarse-grained molecular dynamics and continuum models for the transport of protein molecules
Authors
Marco Bacci
Peer Reviewed
Number of Pages
134
Publication Year
2014
Copyright Information
© 2014 Author(s)
Content License
Metadata License
Publisher Name
Firenze University Press
DOI
10.36253/978-88-6655-694-7
ISBN Print
978-88-6655-693-0
eISBN (pdf)
978-88-6655-694-7
eISBN (xml)
978-88-9273-417-3
Series Title
Premio Tesi di Dottorato
Series ISSN
2612-8039
Series E-ISSN
2612-8020
News and Events
Fulltext
downloads
Views
Search in This Book
Export Citation
Suggested Books
