Difference between revisions of "DOCK:Problems"

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* [[DOCK:Problems]]
 
* [[DOCK:Problems]]
 
* [[Problems]] - all other problems go here.  
 
* [[Problems]] - all other problems go here.  
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== Docking problems in general ==
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* treatment of entropy
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* treatment of receptor desolvation
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* treatment of induced-fit effects
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* ligand internal energy
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== DOCK 3.5.54 ==
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* prepare new distribution
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* "collisions" (fixed in DOCK 3.5.54 revision 316)
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* inline out of box detection (fixed in DOCK 3.5.54 revision 274)
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* ligand internal energy
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* write out multiple structures for PLOP
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[[Category:Problems]]
 
[[Category:Problems]]
 
[[Category:DOCK]]
 
[[Category:DOCK]]

Latest revision as of 20:02, 8 October 2012

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


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