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TAC note Docking is crossdocking

Philippart

Philippart

Golden Member
posted on february 2nd
This week Docking@Home starts its crossdocking phase, we will perform docking of a given ligand with slightly different conformations of the receptor, then our postprocessing algorithm will select the best ligand conformation. This process simulates the flexibility of the protein resulting in more realistic simulations
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Thanks Tom, that's good news. Many (most) docking algorithms do not take protein dynamics (flexibility) as a parameter because it is too computation intensive. Perfect for DC support! 🙂
 
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