[gmx-users] LIE energy values for dimers

[jorge_quintero at ciencias.uis.edu.co]

Thanks a lot professor Spoel!


> On 2010-03-13 20.13, jorge_quintero at ciencias.uis.edu.co wrote:
>> Dear all
>>
>> I used LIE method in order to obtain information related with free
>> energy
>> bind between two proteins.  Previously, I obtained several dimeric
>> configuration using zdock package, and geometry optimization for each
>> model.  For the first ten complex, I used LIE.  These are my results:
>>
>> complex1 -2267.44
>> complex2 -2191.92
>> complex3 -2136.47
>> complex4 -2430.13
>> complex5 -2227.88
>> complex6 -2476.61
>> complex7 -2327.87
>> complex8 -2219.41
>> complex9 -2299.76
>> complex10 -2324.9
>>
>> Are these value correct?.  I'll appreciate your support!
>>
> Impossible to say. I don't know whether there is any accepted protocol
> for this purpose, but LIE is probably too crude. There a couple of
> servers out there that will give you a value. Search for protein-protein
> interaction prediction or something like that.
>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
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-- 
Jorge R. Quintero
Químico
Universidad Industrial de Santander
Bucaramanga, Santander - Colombia