Determining relations between structure and docking quality Bo Hanssen & Sander Jans Supervisor:...
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Determining relations between structure and docking quality Bo Hanssen & Sander Jans Supervisor: Prof. dr. Gert Vriend 17-02-2012
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Transcript of Determining relations between structure and docking quality Bo Hanssen & Sander Jans Supervisor:...
Determining relations between structure and docking quality
Bo Hanssen & Sander JansSupervisor: Prof. dr. Gert Vriend
17-02-2012
Self Docking• Astex Diverse Set• 85 proteins and their
cocrystallized ligands
Cross Docking• Set from Nabuurs et al.• 21 proteins and their
‘cross’ligands
Nabuurs et al. J. Med Chem. 2007, 50, 6507-6518Hartshorn et al. J. Med. Chem. 2007, 50, 726-741