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?S0021889807011053
http://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.html
http://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