Mailinglist Archive: opensuse (4547 mails)

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Re: [SLE] Protein Folding source code
  • From: Luca Mollica <luca_mollica@xxxxxxxxxxx>
  • Date: Wed, 5 May 2004 15:16:13 +0200
  • Message-id: <200405051516.13983.luca_mollica@xxxxxxxxxxx>

> Hi all,
>
> I'm looking for an OpenSource protein folding program under Linux, so I
> could take a look at the source code and figure out how it works...

Martin,

what do you mean exactly with the term protein folding program??
If you are looking for a Molecular Dynamics software, my advice would be
GROMACS, that's distributed under GPL, so the source code is accesible:

www.gromacs.org

Recently some relevant studies on petides folding have been published using
GROMACS/GROMOS force fieds and softwares ......for instance, check a couple of
papers of Wilfred van Gunsteren's group about folding of small peptides(they
have been published recently, or at least, they are going to be published
ASAP)

>
> Please, don't point me to the Folding@Home Project as they don't
> distribute the source code for any of their versions... ;)

...and in order to get reliable version you sould wait for a long time, using
for example a single processor machine...... :-(

Moreover, advice provided by Dave Howorth is the best one, maybe: the
technical literature is the best way to understand the principles upon wich
these softwares and codes are based.
"Proteins" may be good starting point, and also "Journal of Computational
Chemistry" can also be a good source of infos.

Cheers

LM





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