Joined: 10 Apr 09
Here I will present the big picture on how our workunit fit in.
Pick a library of compounds for screening
Pick a Protein Target
--> Docking the compounds to the Target
--> Identify the lowest energy of interaction between compound and Protein
--> pick the best 100 compounds
--> Derive structure file from results
--> format structure file for molecular dynamics
--> simulate with molecular dynamics multiple times until you produce a 10 nanosecond simulation
Joined: 1 May 09
it's like instruction on how to build a warp reactor and then going to warp with the deflector built-in their somewhere.
lol.. ty for the workflow guide chart...
this is how we go from point A to point F hopefully without uh, error....
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