Snowden, Andrew and Stern, Guy and Kuttel, Michelle and Gain, James (2005) DOCKside - A Tool for Docking Atomic Molecular Structures into Low-Resolution Electron Microscopy Graphs, CS05-08-00, Department of Computer Science, University of Cape Town.
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Abstract
The process of cryo-electron microscopy allows scientists to view the complex structures of proteins as they bind and interact with one another. This process however, outputs low resolution noisy density maps which in their initial form are of little use. Through a process called docking, high resolution models of each of the interacting components can be fitted into these low resolution maps so that further study can occur. DOCKside allows users to interact with 3D representations of the proteins and of the electron density maps. Design was an initial concern. Related work was studied to better create a efficient solution to the problem. Different techniques for visualising the various components are implemented and discussed. Docking can also be performed manually using interactive graphics or automatically using a range of mathematically intensive algorithms. These too are detailed and discussed. Through user testing, a review is made as to how efficient the docking process is in producing meaningful and accurate data when compared to the automatically docked solutions.
| Item Type: | Technical report |
|---|---|
| Uncontrolled Keywords: | molecular docking atom PDB spider contour laplacian marching cubes fast fourier transform correlation density |
| Subjects: | Applied computing > Life and medical sciences |
| Date Deposited: | 21 Oct 2005 |
| Last Modified: | 10 Oct 2019 15:35 |
| URI: | http://pubs.cs.uct.ac.za/id/eprint/247 |
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