Ligand-receptor interactions

Douglas C Pearson dopearso at
Thu Nov 16 07:55:50 EST 1995

In article <48dt9k$7k8_001 at>,  <BIE034 at> wrote:
>I'm an undergraduate student interested in the interactions of small molecules
> with neuroreceptors. I was wondering whether there is any free PC software
>equivalent to the program DOCK which would allow me to interact small
>molecules with proteins.

if such things exist, i would like to know about them too.  however:  (a) i 
haven't seen any in my two or so years of mucking around this stuff myself, and
(b) if you could get such a thing running on your PC, i expect you would start 
a simulation going this morning and come back next wednesday and it STILL 
wouldn't be done.  unless, of course, you have a P6 in your machine already, 
in which case you're discovering all the new floating point errors intel can 
come up with and you're getting glyceraldehyde-3-phosphate docked in an active 
site with leucine and valine residues.

[excuse me, it's 7:50 AM over here and i'm in a goofy mood.]

chuck pearson - dopearso at
osu biophysics program, chemistry 121 ta, daddy of amelia catherine pearson.

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