DOCK:Problems: Difference between revisions
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* prepare new distribution | * prepare new distribution | ||
* "collisions" | * "collisions" | ||
* inline out of box detection | * inline out of box detection (fixed in DOCK 3.5.54 revision 274) | ||
* ligand internal energy | * ligand internal energy | ||
* write out multiple structures for PLOP | * write out multiple structures for PLOP | ||
Revision as of 19:00, 16 February 2010
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 (fixed in DOCK 3.5.54 revision 274)
- ligand internal energy
- write out multiple structures for PLOP