A classical Master equation approach to modeling an artificial protein motor
Kuwada, Nathan J. ; Blab, Gerhard A. and Linke, Heiner LU
(2010)
In Chemical Physics
375(2-3).
p.479-485
- Abstract
- Inspired by biomolecular motors, as well as by theoretical concepts for chemically driven nanomotors, there is significant interest in constructing artificial molecular motors. One driving force is the opportunity to create well-controlled model systems that are simple enough to be modeled in detail. A remaining challenge is the fact that such models need to take into account processes on many different time scales. Here we describe use of a classical Master equation approach, integrated with input from Langevin and molecular dynamics modeling, to stochastically model an existing artificial molecular motor concept, the Tumbleweed, across many time scales. This enables us to study how interdependencies between motor processes, such as... (More)
- Inspired by biomolecular motors, as well as by theoretical concepts for chemically driven nanomotors, there is significant interest in constructing artificial molecular motors. One driving force is the opportunity to create well-controlled model systems that are simple enough to be modeled in detail. A remaining challenge is the fact that such models need to take into account processes on many different time scales. Here we describe use of a classical Master equation approach, integrated with input from Langevin and molecular dynamics modeling, to stochastically model an existing artificial molecular motor concept, the Tumbleweed, across many time scales. This enables us to study how interdependencies between motor processes, such as center-of-mass diffusion and track binding/unbinding, affect motor performance. Results from our model help guide the experimental realization of the proposed motor, and potentially lead to insights that apply to a wider class of molecular motors. (C) 2010 Elsevier B.V. All rights reserved. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/1727971
- author
- Kuwada, Nathan J.
; Blab, Gerhard A.
and Linke, Heiner
LU
- organization
- publishing date
- 2010
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Artificial molecular motors, Master equation, Computational simulation
- in
- Chemical Physics
- volume
- 375
- issue
- 2-3
- pages
- 479 - 485
- publisher
- Elsevier
- external identifiers
-
- wos:000282594600046
- scopus:77957750193
- ISSN
- 0301-0104
- DOI
- 10.1016/j.chemphys.2010.05.009
- language
- English
- LU publication?
- yes
- id
- 1f5380e7-ac14-475d-8529-9ae05ed8a58d (old id 1727971)
- date added to LUP
- 2016-04-01 13:36:41
- date last changed
- 2023-09-03 02:12:38
@article{1f5380e7-ac14-475d-8529-9ae05ed8a58d,
abstract = {{Inspired by biomolecular motors, as well as by theoretical concepts for chemically driven nanomotors, there is significant interest in constructing artificial molecular motors. One driving force is the opportunity to create well-controlled model systems that are simple enough to be modeled in detail. A remaining challenge is the fact that such models need to take into account processes on many different time scales. Here we describe use of a classical Master equation approach, integrated with input from Langevin and molecular dynamics modeling, to stochastically model an existing artificial molecular motor concept, the Tumbleweed, across many time scales. This enables us to study how interdependencies between motor processes, such as center-of-mass diffusion and track binding/unbinding, affect motor performance. Results from our model help guide the experimental realization of the proposed motor, and potentially lead to insights that apply to a wider class of molecular motors. (C) 2010 Elsevier B.V. All rights reserved.}},
author = {{Kuwada, Nathan J. and Blab, Gerhard A. and Linke, Heiner}},
issn = {{0301-0104}},
keywords = {{Artificial molecular motors; Master equation; Computational simulation}},
language = {{eng}},
number = {{2-3}},
pages = {{479--485}},
publisher = {{Elsevier}},
series = {{Chemical Physics}},
title = {{A classical Master equation approach to modeling an artificial protein motor}},
url = {{http://dx.doi.org/10.1016/j.chemphys.2010.05.009}},
doi = {{10.1016/j.chemphys.2010.05.009}},
volume = {{375}},
year = {{2010}},
}