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



 Sent to CCL by: riaz uddin [riaasuddin[*]yahoo.com]
 Dear
 There is a free software for alignment free
 3D-QSAR,,..  called as "SOMFA"... free available
 through OXFORD university site.......
 ThanX & Bye
 REAZ UDDIN
 --- "Marc Baaden baaden],[smplinux.de"
 <owner-chemistry:_:ccl.net> wrote:
 > 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|a|smplinux.de      -
 > http://www.baaden.ibpc.fr
 >  FAX: +33 15841 5026  -  Tel: +33 15841 5176  ou
 > +33 609 843217
 >
 >
 >
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