# Difference between revisions of "DOCK:Problems"

Jump to navigation
Jump to search

m |
m |
||

Line 6: | Line 6: | ||

* [[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 == |

## Revision as of 16:02, 7 August 2009

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