Binding modelling?

[Greg Denomme]

On 11 Nov 1993, Fourie Joubert wrote:

> Hi
> 
> I'm interested in the computer modelling of antibody-antigen binding. 
> Especially, in the possibilities of mutagenesis to enhance specificity and/
> or affinity. Thus, I would like to do my predictions on computer, and then 
> try them out in the lab by recombinant means. 
> 
> Can anybody direct me towards references concerning similar work?
> 
> Please mail, any help would be enormously appreciated!
> __________________________________________________________________________
> 
>      _/_/_/_/  _/_/_/_/_/  Fourie Joubert           
>     _/            _/     Department of Biochemistry
>    _/            _/    University of Pretoria
>   _/_/_/_/      _/   South Africa
>  _/            _/  fourie at ccnet.up.ac.za
> _/      _/_/_/_/                                 Disclaimer: "Fourie who?"
> __________________________________________________________________________
> 

  I know of two papers that have used molecular modeling to study Ig V
regions:

Tomiyama Y, Brojer E, Ruggeri ZM et al. A molecular model of RGD ligands.
Antibody D gene segments that direct specificity for the integrin
alphaIIb-beta3. JBC 1992;267:18085-18092.

Hughes-Jones NC, Bye JM, Beale D and Coadwell J. Nucleotide sequences and
three-dimensional modelling of the VH and VL domains of two human
monoclonal antibodies specific for the D antigen of the human
Rh-blood-group system. Biochem J 1990;268:135-140.

Hope this helps,
Cheers,
Greg
denomme at FHS.McMaster.ca