QXP program for drug design

[Oliver Hucke <Oliver.Hucke;at;physchem.uni-freiburg.de>]

Dear CCL'ers,
 we are interested in methods for ligand docking calculations and
 structure based drug design in general.
 We have used mainly the ligand docking program FlexX so far, but we
 would like to be able to treat the binding site as conformationally
 flexible - FlexX uses a rigid binding pocket. Somebody pointed us to the
 package QXP, but there is only very few information about it on the
 internet. Therefore, we would like to ask you for some information about
 QXP.
 Do you have any experience with QXP, especially with its ability to
 perform ligand docking calculations with flexible protein binding site
 and with the accuracy of predicted binding free energies?
 Could you point us to some papers describing QXP applications or other
 sources of information about the program?
 Thank you very much in advance,
 Oliver
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 ____________________________________________________________________________
 Oliver Hucke
 Inst. fuer Physikalische Chemie II
 Universitaet Freiburg
 Albertstr. 23a
 D-79104 Freiburg
 Tel. :  +49-761-203-5130 (/-6179)
 Fax. :  +49-761-203-6189
 email:  Oliver.Hucke;at;physchem.uni-freiburg.de
 ____________________________________________________________________________