Share Email Print
cover

Proceedings Paper

Atomistic mechano-chemical modeling of kinesins
Author(s): Simona Patriche; Shinji Matsushita; Mihaela Banu; Bogdan I. Epureanu; Taiji Adachi
Format Member Price Non-Member Price
PDF $14.40 $18.00

Paper Abstract

This work is concerned with the dynamics of motor proteins. In particular, we discuss the development of computational analysis tools for predicting the dynamics of molecular motors such as certain types of kinesin. The ability to model and predict how these biomolecular machines work forms the critical link to biotechnological device development, including lab-on-a-chip applications and many others. The focus of this research is on the identification and modeling of nonlinear dynamic phenomena caused by coupled thermal, chemical, and mechanical fields. A mechanistic model of kinesin has been developed recently at the University of Michigan. This model accounts for transient dynamics and uses parameters which have to be identified from experimental data and/or from first principles. In this work, accurate atomistic simulations using a monomeric human kinesin structure (PDB ID: 1MKJ, 2.70 Angstroms resolution) is used instead of experimental data to obtain key nano-scale properties of the motor protein. The approach allows an accurate bridging between nano-scale processes occurring over pico seconds and micron- or millimeter-scale processes occurring over seconds.

Paper Details

Date Published: 23 March 2011
PDF: 6 pages
Proc. SPIE 7975, Bioinspiration, Biomimetics, and Bioreplication, 797519 (23 March 2011); doi: 10.1117/12.886303
Show Author Affiliations
Simona Patriche, RIKEN (Japan)
Univ. Dunarea de Jos of Galati (Romania)
Shinji Matsushita, RIKEN (Japan)
Kyoto Univ. (Japan)
Mihaela Banu, Univ. Dunarea de Jos of Galati (Romania)
RIKEN (Japan)
Bogdan I. Epureanu, Univ. of Michigan, Ann Arbor (United States)
Taiji Adachi, RIKEN (Japan)
Kyoto Univ. (Japan)


Published in SPIE Proceedings Vol. 7975:
Bioinspiration, Biomimetics, and Bioreplication
Raúl J. Martín-Palma; Akhlesh Lakhtakia, Editor(s)

© SPIE. Terms of Use
Back to Top