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Homology Modeling

Ron Cole rcole at SILIBIO.NCSA.UIUC.EDU
Sat Apr 2 17:54:20 EST 1994


        Hi, I currently homology modeling several proteins.

[Homology modeling is attempting to get the structure of a protein, by using
the structure of one or more proteins for which the structure has been
determined.  There are 2 broad classes of this.  In the de novo approach one
tries to get the structure for a protein for which no closely related protein
structures have been solved.  This is very brave.  In the second, and
humbler approach, one uses the structure of a closely related protein.  I
do the second type.]

        In my modeling efforts, I want to address the basic question,
"How much can we trust this structure?"  To this end I would like to be
able answer these questions;

1.) Have any structures which were modeled, subsequently been solved, and
        if so, how did the model structure compare?
2.) Have model structures been used to predict ligands/pharmaceuticals?
3.) What is the current opinion on the use of model structures?

        If anyone has any information on the above, please mail me and I
will summarize for the net.

        I understand that many people who might be able to answer these
questions may not be able to, due to confidentiality.  But I would still
like to hear their opinions, even if no details of their own work can be
provided.

Many Thanks,
Skip
*************************************************************************
* Skip Cole             *       The three graces of a scientist are     *
* rcole at ncsa.uiuc.edu   *       objectivity, clarity and compassion.    *
* (217)355-5308         *       The greatest of these being compassion. *
*************************************************************************




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