[gmx-users] cis-trans isomerization

[Xavier Periole]

Hello,

Just to mention to you that we have been working on rhodopsin and two 
main results
came out of this work:
1) Glu181 is protonated; to be published in biochemistry after small 
revision
2) internal water molecules not found in the X-ray models are important 
to keep Glu181
in contact with the retinal when it is protonated.

Let me know if you want more informations

XAvier

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   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: md.chem.rug.nl/~periole
   
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