At 9:50 AM -0800 1/11/01, Herbert M Sauro wrote:
>I didn't know that about BIOSSIM, I knew it modeled enzymes in mechanistic
>detail and then the enzyme rate was calculated from the enzyme species
>distribution. I had the opportunity when I did my PhD to look at the BIOSSIM
>source which is where I spotted that technique. The new guys on the block
>(the 'alternative community' as I call them) have no idea about this stuff,
>for what ever reason they don't read about any work that was done before
>sequencing took over.
I guess people don't look so far back. It's been more than 16 years
since I worked in that area and more than 10 years since David
Garfinkel and Murray Achs died.
>By the way Michael, do you know what ever happened to David Park?
Not a clue.
>If I had some time I'd have a go an implement David's algorithm. We've got a
>model at the moment which is full of equilibrium reactions. I'm not sure how
>one should go about this sort of modeling in an automatic way because such
>systems admit two moiety groups, one group which comes from the slow
>reactions and the other from the quasi-steady-state group, other than David
>Park's paper I don't know if anyone has written anything on it. If anyone
>knows of any work in this area I'd like to know.
I may still have my box of Fortran punched cards with the code! I
haven't looked in my attic for 10 years. Would this be of any help?
Michael C. Kohn
Laboratory of Computational Biology and Risk Analysis
National Institute of Environmental Health Sciences
P.O. Box 12233, Mail Drop A3-06
Research Triangle Park, NC 27709-2233
919-541-4929 (voice)
919-541-1470 (Fax)
E-mail: kohn at valiant.niehs.nih.gov
Web site: http://valiant.niehs.nih.gov
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