[BIOVIA] Generative Therapeutics Designer for one project

Functional Value

Apply accurate binding energies from docking (GOLD) and run them on scalable grid to generate better quality molecules through use of predicted fit in binding pocket. Also includes the capability to show reactants that were used to generate a molecule when using reaction enumeration in the molecule details.

User Experience Value

Improve molecule quality by applying enhanced pharmacophore scoring and molecular docking.

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Register External Model

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Test Newly Registered Model

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Add External Model to TPP for Study