[Dock-fans] RNA-Ligand Docking with DOCK6
Christian Schudoma
schudoma at mpimp-golm.mpg.de
Wed Feb 13 03:33:08 PST 2008
Hello everyone,
I am a PhD student in structural bioinformatics, trying to use DOCK6 for
docking ligands into RNA molecules, in particular riboswitches. Are the
DOCK6 scoring functions suitable for this task, i.e. have NA-specific
parameters been integrated into the latest DOCK version? In the
dockfans-archives I found a brief statement (Feb 2005) that comparison
of "a variety of charge models for RNA" have been under way. Have these
comparisons been fruitful? I wasn't able to find further or even
concluding information about this even after intensive research.
If such modifications have not been made yet, does anyone have
experience with successfully docking to RNA targets and is willing to
share their parameters/scoring settings? Any help would be appreciated!
(I already know about the article by Kang et al. (2003) =) )
Thanks and regards,
Christian
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