EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening.Bioinformatics. 2020 Aug 15; 36(14):4200-4202.B
EasyVS is a web-based platform built to simplify molecule library selection and virtual screening. With an intuitive interface, the tool allows users to go from selecting a protein target with a known structure and tailoring a purchasable molecule library to performing and visualizing docking in a few clicks. Our system also allows users to filter screening libraries based on molecule properties, cluster molecules by similarity and personalize docking parameters.
AVAILABILITY AND IMPLEMENTATION
EasyVS is freely available as an easy-to-use web interface at http://biosig.unimelb.edu.au/easyvs.
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Supplementary data are available at Bioinformatics online.