DOCK:Problems

From DISI

This is the UCSF DOCK problem page. There are other problem pages too:

• DOCK Blaster:Problems
• DUD:Problems
• DOCK:Problems
• Problems - all other problems go here.

Docking problems in general

• treatment of entropy
• treatment of receptor desolvation
• treatment of induced-fit effects
• ligand internal energy

DOCK 3.5.54

• prepare new distribution
• "collisions"
• inline out of box detection
• ligand internal energy
• write out multiple structures for PLOP