David Koes edited OpenGrowth_cite_Ch_ron_2015_was_inspired__.tex  about 8 years ago

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AutoClickChem \cite{Durrant_2012} performs \textit{in silico} click chemistry to generate large libraries of synthetically accessible compounds.  AutoGrow \cite{Durrant_2013} uses a genetic algorithm to explore the space of reactants and reactions accessible view AutoClickChem and identify compounds that dock well using AutoDock Vina.  OpenGrowth \cite{Ch_ron_2015} was inspired by AutoGrow and assembles candidate ligands by connecting small organic fragments in the active site of proteins. It includes a graphical user interface.