MPI implementation:
1. by Khodade, Autodock v4.0.1 (old version)
http://proline.physics.iisc.ernet.in/autodock/http://scripts.iucr.org/cgi-bin/paper?S0021889807011053http://mgldev.scripps.edu/pipermail/autodock/2009-May/005903.html
2. by Jerome Baudry (Oak Ridge) (source code not released yet)
http://mgldev.scripps.edu/pipermail/autodock/2011-March/007573.htmlhttp://onlinelibrary.wiley.com/doi/10.1002/jcc.21696/abstract
3. by Autodock group
http://autodock.scripps.edu/downloads/multilevel-parallel-autodock4.2
GPU implementation:
http://sourceforge.net/projects/gpuautodock/files/http://sourceforge.net/projects/gpuautodock/files/gpuautodock/GPUAUTODOCK.1.0.0/
Code Porting Strategy:
Find the "shortest-path" for porting
http://www.facebook.com/note.php?note_id=206956479332275
Swan tool: Port CUDA to OpenCL
http://www.multiscalelab.org/swan
http://www.multiscalelab.org/gianni/publications?action=AttachFile&do=get&target=swan.pdf
References:
Parallel LGA http://onlinelibrary.wiley.com/doi/10.1002/jcc.1146/abstract
MPAD4 http://www.jcheminf.com/content/3/1/12
http://www.msi.umn.edu/~cpsosa/UniversityofRochester_HPC_Lecture.pdf
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3098179/
http://journals.iucr.org/j/issues/2007/03/00/kk5006/kk5006.pdf
http://onlinelibrary.wiley.com/doi/10.1002/jcc.21696/abstract