DOCK:Problems: Difference between revisions
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* [[Problems]] - all other problems go here. | * [[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 == | == DOCK 3.5.54 == | ||
* prepare new distribution | * prepare new distribution | ||
* "collisions" | * "collisions" (fixed in DOCK 3.5.54 revision 316) | ||
* 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 | ||
Latest revision as of 20:02, 8 October 2012
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" (fixed in DOCK 3.5.54 revision 316)
- inline out of box detection (fixed in DOCK 3.5.54 revision 274)
- ligand internal energy
- write out multiple structures for PLOP