Tracking single channel in protein dynamics
| Authors | |
|---|---|
| Year of publication | 2010 |
| Type | Article in Proceedings |
| Conference | WSCG Communication Papers proceedings |
| MU Faculty or unit | |
| Citation | |
| Web | http://wscg.zcu.cz/WSCG2010/Papers_2010/!_2010_Short-proceedings.pdf |
| Field | Informatics |
| Keywords | channel; protein dynamics; tracking; Voronoi diagram; Delaunay triangulation |
| Description | In this paper we present a new approach to the processing of molecule dynamics. The method performs the tracking of a channel in a sequence of molecule snapshots which represent atom positions in the molecule in certain time intervals. The centerline of the tracked channel is refined using the Delaunay triangulation from the actual snapshot resulting in a new optimized centerline. This method allows us easily to animate the behaviour of the channel in the sequence. The method can also be used to detect the channel geometry in snapshots, where recent methods are not able to find this channel. In addition, the method yields information about channel parameters which vary over time. We can evaluate opening and closing of the input channel. |
| Related projects: |