Talk:Docking (molecular)
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[edit] Some of the concepts that should be added to this entry
- Consensus scoring
- Incremental construction (as in FlexX)
- de novo design
- filtering (such as in Glide)
--Dockingman 19:17, 30 April 2006 (UTC)
[edit] Removed penicillin comment
The use of penicillins will soon be obsolete as bacteria continue to evolve beta-lactamases that confer resistance to nearly every penicillin derivative that has been found to be active. Most betalactamases are susceptible to inhibition by clavulanic acid, and the metallobetalactamases, which are not, are rare. Changes to PBP targets causes serious resistance (eg in MRSA) which is not mediated by betalactamses at all. --ben 09:52, 25 June 2006 (UTC)
[edit] External links?
The list on external links is very much a commercial listing... should it be trimmed/modified?
- I agree that this list is inappropriate, therefore I have deleted this section. Boghog2 23:15, 20 October 2007 (UTC)
[edit] Rewrite
I found this article very confusing since it stated that the purpose of docking is to predict whether a molecule will bind. However this is not correct. The purpose of docking is to determine (1) the best relative orientation between two molecules in a complex and (2) the conformation of each molecule in the complex. Given this orientation, it is then the job of the scoring function to determine whether the interaction between these two molecules will be favorable. Therefore I have done a major rewrite of several of the sections to make this distinction clearer. Boghog2 23:25, 20 October 2007 (UTC)
