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choderalab / AURKA_UMN

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checking in 2 prepared structures #51

Closed steven-albanese closed 7 years ago

steven-albanese commented 7 years ago

adding in two prepared structures:

anything -prepped.pdb has been run through schrodinger's prepwizard

anything minimized was minimized in openmm (after prepwizard) in explicit solvent, but has the water box

steven-albanese commented 7 years ago

One more comment: 48JM had a mutant in it that I mutated back to the WT sequence