Automatic hyperparameter selection in Autodock

2 Dec 2018Hojjat RakhshaniLhassane IdoumgharJulien LepagnotMathieu BrevilliersEdward Keedwell

Autodock is a widely used molecular modeling tool which predicts how small molecules bind to a receptor of known 3D structure. The current version of AutoDock uses meta-heuristic algorithms in combination with local search methods for doing the conformation search... (read more)

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