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Molecule docking simulation application
App related to Simulation-based Optimization in the context of Pharmaceutical Manufacturing
Description: AutoDock Vina is an open-source program for doing molecular docking. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab (now CCSB) at The Scripps Research Institute. The application provided through the emGORA Workspace offers a workflow for performing molecular docking simulation of multiple ligands against a single receptor molecule, in a parameter sweep manner.
Use Case: This is the use case description
Dependencies: The application has no dependencies.