Hi!
LAURETTE at MSVAX.MSSM.EDU wrote:
>Dear xtallographers and modellers-
>> I wanted to dock two proteins
>together and then minimize to get some
>numbers for goodness-of-fit but can't
>afford insight or other megabuck programs.
>is there shareware/econoware for this task.
>(...)
A reference that might be useful is:
Stoddard, B.L. & Koshland, D.E. (1992) "Prediction of a receptor protein
complex using a binary docking method." Nature. 358 (6389): 774-776
A version of the docking software AutoDock to make this study.
Information on licensing (free for academics) is available from Peggy
Graber at The Scripps Research Institute: graber at scripps.edu
The only problem of the approach is that the input files still require
processing by Biosym Insight (Discover) or Sybil but the quality of the
results seems to be very good.
I hope this helps!
Pedro
--------------------------------- H2N-CH-CO-NH-CH-CO-...-NH-CH-COOH --
Pedro M. Coutinho - Graduate Student \ \ \
IOWA STATE UNIVERSITY R1 R2 Rn
Department of Chemical Engineering Phone: 1-515-294-9370
2114 Sweeney Hall Fax: 1-515-294-2689
Ames, IA 50011-2230 E-mail: pedro at iastate.edu
U.S.A. URL: http://www.public.iastate.edu/~pedro/
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