A request for help on molecular modeling simulations.



 I am an undergrad Biochem student doing summer research on ligand-receptor
 interactions.  I would like to know what are good energy values to expect
 when docking the protein ligand to the protein receptor.  What kind of
 values should I be looking for in the VDW, the electrical energy, and the
 overall energy?  How do I estimate that the energy is a good docking of
 the two?
 The software that I have to work with is Insight II on the SGI.
 I would also appreciate any suggestions as to what minimization and
 dynamics algorithms to use on Discover once I dock the two together to get
 a better idea of "docked" conformation.
 In advance, thank you for your help.
 G. Barbeau
 email: gbarbeau $#at#$ eagle.ibc.edu