[gmx-users] How to create dual topology to calculate difference in folding free energy due to mutation.

[SAKO MIRZAIE]

and also this one:

http://www3.mpibpc.mpg.de/groups/de_groot/cecam2015/peptide_mutation/

On 3/31/16, SAKO MIRZAIE <sako.biochem at gmail.com> wrote:
> hi
> you can do MD simulation and compute free energy of folding,
> individually. for detect the folding frame or structure, use have to
> regard to RMSD. please look at the following webpage:
>
> http://www3.mpibpc.mpg.de/groups/de_groot/compbio2/p8/index.html
>
> On 3/31/16, Tushar Ranjan Moharana <tusharranjanmoharana at gmail.com> wrote:
>> Hi SAKO MIRZAIE,
>> Thanks for your reply. But how can we calculate difference in folding
>> free
>> energy by doing 2 separate simulations? Please clarify (at least give
>> some
>> hints or references).
>>
>> Thanks a lot.
>>
>> "A society with free knowledge is better than a society with free food"
>> --
>> Tushar Ranjan Moharana
>> B. Tech, NIT Warangal
>> Ph D Student, CCMB
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>
>
> --
> ***********************************************
> sako mirzaie
> PhD in biochemistry, science faculty, Islamic azad university of
> sanandaj, sanandaj, Iran
> http://www.iausdj.ac.ir/fa/fa-info.aspx?p=s.mirzaie
>
> http://www.iausdj.ac.ir/en/en.aspx?p=s.mirzaie
>
> http://scholar.google.com/citations?user=viwZvVAAAAAJ&hl=en
>
> http://www.scopus.com/authid/detail.url?authorId=54886431500
>
> http://www.ncbi.nlm.nih.gov/pubmed/?term=sako+mirzaie
> https://www.researchgate.net/profile/Sako_Mirzaie/publications/
>


-- 
***********************************************
sako mirzaie
PhD in biochemistry, science faculty, Islamic azad university of
sanandaj, sanandaj, Iran
http://www.iausdj.ac.ir/fa/fa-info.aspx?p=s.mirzaie

http://www.iausdj.ac.ir/en/en.aspx?p=s.mirzaie

http://scholar.google.com/citations?user=viwZvVAAAAAJ&hl=en

http://www.scopus.com/authid/detail.url?authorId=54886431500

http://www.ncbi.nlm.nih.gov/pubmed/?term=sako+mirzaie
https://www.researchgate.net/profile/Sako_Mirzaie/publications/