[Dock-fans] Regarding virtual screening

sudheer karanam suryodai at yahoo.co.in
Sun Mar 27 21:25:59 PST 2005


Dear friends,
 I'm very new to this subject.I've two questions:
1) I've a few chemical structures with me(whose pdb
coordinates i dont know)which i want to dock.I've
tried PRODRG to get the pdb coordinates.I'm
unsuccessful as PRODRG cant recognise Iron.Is there
any other server or program that can give pdb
coordinates when we give chemical structures(which can
recognise Iron also, as my compounds contain Iron).
2) I there any site on net to know in detail about
virtual screening.My main concern is how to prepare
our own subsets for docking, from freely available
large datasets like zinc.I mean on what basis should
we select the subsets.
 Thanking you in advance.
Sincerely,
Sudheer      

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