Characterization of microtubules and motor proteins via
molecular dynamics simulations.
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| Title | Characterization of microtubules and motor proteins via molecular dynamics simulations. |
| Authors | |
| Abstract | Microtubules and related motor proteins such as kinesins or dyneins are cytoskeleton structures in many different physiological processes in eukaryotes. Microtubules function as transportation tracks for motor proteins to carry out direct transport in the cell. In this work a mechanical characterization of microtubules structures and their interactions with kinesin motor proteins by means of molecular dynamics techniques is described. In particular molecular dynamics simulations were performed in order to evaluate the microtubule properties; tubulin monomers´ mechanical properties and monomer-to-monomer interactions. Moreover we characterize their binding force with associated motor proteins. Molecular Dynamic simulations were performed using GROMACS software. In perspective, our results can be used to develop mesoscale models based on data provided at the molecular level able to better understanding of the behaviors of these sub-cellular structures under loading conditions. |
| Publisher | CILEA |
| Date | 2006-12-22 |
| Source | Research Activities on High Performance Computing Clusters at CILEA 2006 2006 |
| Rights | Copyright 2007 CILEA |