EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening.
basic_science · Level V
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- Record sourced from PubMed, PMID 32399551.
- Also identified by DOI 10.1093/bioinformatics/btaa480.
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Abstract
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. EasyVS is freely available as an easy-to-use web interface at http://biosig.unimelb.edu.au/easyvs. douglas.pires@unimelb.edu.au or david.ascher@unimelb.edu.au. Supplementary data are available at Bioinformatics online.
Medical subject headings
- Internet
- Software