VMD-L Mailing List

From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Sat Sep 13 2008 - 22:07:46 CDT

another one
http://en.wikipedia.org/wiki/Protein_pKa_calculations

On Sat, Sep 13, 2008 at 11:04 PM, Roman Petrenko <rpetrenko_at_gmail.com> wrote:
> There is nice article in wiki about protonation, pKa and pH
>
> http://en.wikipedia.org/wiki/Acid_dissociation_constant
>
> On Sat, Sep 13, 2008 at 10:09 AM, Axel Kohlmeyer
> <akohlmey_at_cmm.chem.upenn.edu> wrote:
>> On Fri, 12 Sep 2008, Rabab Toubar wrote:
>>
>> RT> Hi everyone,
>> RT>
>>
>> RT> As explaines in the NAMD tutorial, aliasing a histidine residue
>> RT> depends on whether it is neutral or protonated, and if neutral,
>> RT> which tautomer. So how can I possibly know what is the state of the
>> RT> HIS ?
>>
>> from its pKs? and the intended pH of the environment??
>>
>> cheers,
>> axel.
>>
>> RT>
>> RT> Thanks
>> RT> Rabab
>>
>>
>>
>>
>> --
>> =======================================================================
>> Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu
>> Center for Molecular Modeling -- University of Pennsylvania
>> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
>> tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
>> =======================================================================
>> If you make something idiot-proof, the universe creates a better idiot.
>
>
>
> --
> Roman Petrenko.
> Physics Department
> University of Cincinnati
> 

-- 
Roman Petrenko.
Physics Department
University of Cincinnati