ADL: ADT, Hydrogens, and Free Radicals

Kamikaze_Keeper brian.rivera at osumc.edu
Thu Mar 25 11:11:19 PDT 2010


Barb,
 
It's an on-line "handle" that I've been using for years. When I played co-rec
adult soccer years ago here in Columbus, OH, the team collectively gave each
player a nickname that we had put on our jerseys - much like frat teams do.
 
During the previous season, I had changed positions from central defender to
goalkeeper. According to my teammates, I was an extremely aggressive 'keeper,
and played "...as though I had a death wish". They bestowed the name of
"Kamikaze" upon me. The on-line "handle" is simply an extension of this.
 
Thanks,
Brian Rivera, Senior Research Associate
Kuppusamy Research Group
Department of Internal Medicine
The Ohio State University Medical Center
The Ohio State University
Phone: 614-292-3806
E-Mail: brian.rivera at osumc.edu

________________________________

From: Collignon, Barbara C. [via AutoDock]
[mailto:ml-node+4799259-537594904-483718 at n2.nabble.com] 
Sent: Thursday, March 25, 2010 2:01 PM
To: Rivera, Brian
Subject: Re: ADL: ADT, Hydrogens, and Free Radicals


where that name "kamikaze_keeper" comes from ? 

Barb 

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Sent: Thursday, March 25, 2010 12:16 PM 
To: [hidden email]
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Subject: ADL: ADT, Hydrogens, and Free Radicals 

Good afternoon! 

I'm new to AutoDock, but I have an issue that I am hoping someone could 
provide some help on. 

I have succeeded in completing a run using a hydroxylamine-containing ligand 
to a particular macromolecule. Now, I am trying to dock the corresponding 
nitroxide as a ligand to the same macromolecule. Unfortunately, ADT does not 
like the charge-bearing free oxygen, and automatically returns the ligand to 
the nitroxide configuration by adding a hydrogen atom. 

Is there a way to remove this added hydrogen atom or override ADT in order 
to maintain the nitroxide state? 

Thanks, 
Brian (aka - Kamikaze_Keeper) 
Senior Research Associate 
The Ohio State University 
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