ADL: large ligand

f.namazifar at sci.ui.ac.ir f.namazifar at sci.ui.ac.ir
Mon Dec 15 13:59:40 PST 2014


Hi. I want to do protein-ligand docking. But the ligand is large and  
flexible  with 546
rotatable bonds set TORSDOF 546. I have two questions:
1- When I used autodock4.2 I received this error:"too many torsions.  
maximum number of
torsion is 32". How can I solve this problem?
2- Can I use vina for this system?
Best Regards.







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