Title :
Poster: GPU-accelerated rigid body fitting of atomic structures into electron density maps
Author :
Lowe, Edward W., Jr. ; Woetzel, Nils ; Meiler, Jens
Author_Institution :
Dept. of Chem., Vanderbilt Univ., Nashville, TN, USA
Abstract :
In the last three years, graphical processing units (GPUs) have grown in popularity since they can now be programmed with higher-level languages like the industry standard OpenCL. GPUs are ideal in processing parallel computations and show significant speed ups over CPU implementations. The presented work applies GPUs to rapidly refine initial placements of protein models into low resolution density maps thereby accelerating construction of atomic-detail models for large macromolecular assemblies.
Keywords :
biology computing; computer graphics; high level languages; molecular biophysics; molecular configurations; parallel programming; proteins; GPU-accelerated rigid body fitting; OpenCL; atomic structures; atomic-detail models; electron density maps; graphical processing units; higher-level languages; large macromolecular assemblies; low resolution density maps; parallel computations; protein models; Biological system modeling; Electron microscopy; Fitting; Graphics processing unit; Proteins; GPU; OpenCL; cryo-EM; density map; fitting;
Conference_Titel :
Computational Advances in Bio and Medical Sciences (ICCABS), 2011 IEEE 1st International Conference on
Conference_Location :
Orlando, FL
Print_ISBN :
978-1-61284-851-8
DOI :
10.1109/ICCABS.2011.5729919