Porting Autodock to CUDA

2010 IEEE World Congress on Computational Intelligence, WCCI 2010 - 2010 IEEE Congress on Evolutionary Computation, CEC 2010

Volumn , Issue , 2010, Pages

  Kannan, Sarnath ^a   Ganji, Raghavendra ^a  

^a HCL TECHNOLOGIES LTD   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AUTODOCK; DOCKING POSITIONS; DRUG DISCOVERY; DRUG DISCOVERY PROCESS; MOLECULAR DOCKING; PARALLEL DESIGN; SPEED-UPS;

GENETIC ALGORITHMS;

ARTIFICIAL INTELLIGENCE;

EID: 79959444135     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/CEC.2010.5586277     Document Type: Conference Paper

References (11)

1. TSRI, "The Scripps Research institute", http://www.scripps.edu
2. CUDA, "The CUDA Zone", http://www.nvidia.com/cuda
3. Timothy Blattner, D. H. (2009, 5 8). "AutoDock Software in Parallel with GPUs - Final Report", http://sourceforge.net/projects/gpuautodock/ files/gpuautodock/GPUAUTODOCK.1.0.0/final-prototype-report.pdf/download
4. Oleg Trott, Arthur J. Olson, "AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading", Journal of Computational Chemistry, vol. 31, No 2, 2010, pp. 455-461
5. GPGPU, "General Purpose Computation on Graphics Processing Units", http://gpgpu.org
6. Tom R. Halfhill, "Looking Beyond Graphics", http://www.nvidia.com/content/PDF/fermi-white-papers/T.Halfhill-Looking-Beyond- Graphics.pdf , page 4
7. Autodock FAQ. "Official Autodock Website", http://autodock. scripps.edu/faqs-help/faq/which-values-of-thegenetic-algorithm-parameters-do- you-normally-use
8. "Autogrid", http://autodock.scripps.edu/wiki/AutoGrid
9. "Prefix Sums", Wikipedia, http://en.wikipedia.org/wiki/Prefix- sum
10. NVIDIA Corporation, "NVIDIA's next generation CUDA Compute Architecture: FERMI", http://www.nvidia.com/content/PDF/fermi-white-papers/ NVIDIA-Fermi-Compute-Architecture-Whitepaper.pdf
11. Sarnath Kannan, "Crossover bug", http://mgl.scripps.edu/forum/ viewtopic.php?f=9&t=677&sid=ce704d82725f4255bd0ef5ad7b043811