CCL: Free software for drug design? ..and flexibility descriptors



 Sent to CCL by: Marc Baaden [baaden%x%smplinux.de]
 Dear All,
 concerning techniques like molecular dynamics, Monte Carlo or implementations
 of ab initio approaches there are a number of freely available programs for
 the academic community.
 I wonder whether similar 'free' (non-commercial) software exists for drug
 design? In particular for the following tasks:
 - virtual screening
 - pharmacophore modeling
 - receptor mapping
 - QSAR and 3D-QSAR
 - Shape alignments
 - ComFa-like methods
 My focus would be more on exploring these approaches then on applying them in
 a production environment on huge projects. I'd be very grateful for suggestions
 and comments.
 One more specific request: what type of molecular or atomic descriptors do
 exist for conformational flexibility?
 Thank you very much in advance,
   Marc Baaden
 --
  Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
  mailto:baaden*_*smplinux.de      -      http://www.baaden.ibpc.fr
  FAX: +33 15841 5026  -  Tel: +33 15841 5176  ou  +33 609 843217