Difference between revisions of "DOCK:Problems"

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* [[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
  
 
== 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:


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