Question: What is the difference between multiple docking and ensemble docking?
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gravatar for studia.biot
10 months ago by
studia.biot20
studia.biot20 wrote:

I have an article in which two types of multiple protein structures docking are described (multiple docking and ensemble docking) but it is not clearly stated how these approaches differ.

molecular docking • 238 views
ADD COMMENTlink modified 10 months ago by Jean-Karim Heriche23k • written 10 months ago by studia.biot20
4
gravatar for Jean-Karim Heriche
10 months ago by
EMBL Heidelberg, Germany
Jean-Karim Heriche23k wrote:

Ensemble docking refers to the approach of generating multiple structures of the target molecule using molecular dynamics simulation and study docking to this ensemble of target structures. Multiple docking refers to the breaking down of the target structure into smaller components that are then used for docking in various combinations. Both of these approaches try to account for conformational changes of the target protein.

ADD COMMENTlink written 10 months ago by Jean-Karim Heriche23k
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