[Dock-fans] GPU implementation of DOCK

John J. Irwin jji at cgl.ucsf.edu
Wed Jul 29 11:56:33 PDT 2009


Hi Jim

Thanks for your question about GPU implementations of DOCK.  I have
heard many people express an interest in this, but I have not seen or
heard of an implementation.  As you know, the DOCK source code is
available to academics, so there is a reasonable chance that someone
somewhere is working on it.  One of the conditions of the UCSF DOCK
license is that any improvements in the code must be returned to the
germline version at UCSF.  If that happens you will be among the first
to know.

John


Prism Sciences wrote:
> Hello,
>    There has been much written lately on the possible improvements of  
> molecular simulations using massively parallel GPU  (graphics  
> processor unit) coded versions of existing dock software.  I was  
> wondering if there are GPUimplementations of DOCK available.  Or do  
> you know of any groups that are actively developing an implementation?  
> My cursory look via google yield hits for other programs but not DOCK,  
> but that's also possibly due to the ambiguity of the search related to  
> the  word "DOCK".
>
> Cheers,
> --Jim Parker
> UTSA Physics 
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