David Koes edited section_Introduction_There_are_a__.tex  about 8 years ago

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\section{Introduction}  There are a multitude of software packages and web services that assist in computer aided drug design \cite{Villoutreix_2013}, but a relative paucity of services that support structure-based virtual screening. Those that exist, such as DockBlaster \cite{Irwin_2009} and iDrug \cite{Wang_2014}, are typically batch-processing services where the user submits a virtual screening job and receives the results hours or days later. Alternatively, advanced algorithm algorithms  enable interactive time-scale searches, but existing web resources \cite{Koes_2012,Koes_2012z} are limited by their a single search  modality of and a restricted  search domain. In contrast, Pharmit provides both pharmacophore  and domain of the molecular shape  search database. modalities as well as ranking results by energy minimization