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David Koes edited paragraph_Docking_AutoDock_cite_Morris_2009__.tex
about 8 years ago
Commit id: 1eb229b1abce8e14833fbd2cc04ab349f2690d75
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AutoDock Vina \cite{Trott_2009} is an entirely separate code base and approach from Autodock that was developed with a focus runtime performance and ease of system setup. It uses a fully empirical scoring function and an iterated local search global optimizer to produce docked poses. It includes support for multi-threading and flexible sidechains.
idock \cite{Li_2012} is a multi-threaded docking program that includes support for the AutoDock Vina scoring function and a random forest scoring function. I can output per-atom free energy information for hotspot detection.
MOLA \cite{Abreu_2010} is a pre-packaged distribution of AutoDock and AutoDock Vina for deployment on multi-platform computing clusters.
Paradocks \cite{Meier_2010} is a parallelized docking program that includes a number of population-based metaheuristics, such as particle swarm optimization, for exploring the