Login

Join for Free!
119202 members


GDP protonation state for QM

Discussion of all aspects of biological molecules, biochemical processes and laboratory procedures in the field.

Moderator: BioTeam

GDP protonation state for QM

Postby CoffeeIsTheColour » Mon Jun 21, 2010 10:10 am

Hi folks,

I planned to set up a QM system of GDP and Mg2+. The Mg2+ will be octahedrally coordinated with 4 H2O, the GDP BO- and a side chain OH residue. I would like some information on the best way in which to treat the GDP, in particular the protonation state of the B phosphate oxygen.

Any advice would be greatly appreciated.

Cheers...
CoffeeIsTheColour
Garter
Garter
 
Posts: 5
Joined: Fri May 14, 2010 11:59 am

Return to Molecular Biology

Who is online

Users browsing this forum: No registered users and 1 guest

cron