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 know structure and tailoring a purchasable molecule library to performing and visualising docking in a few clicks. Our system also allows users to filter screening libraries based on molecule properties, cluster molecules by similarity and personalise docking parameters.

Bioinformatics, v. 36 (14), p. 4200-4202, 2020.
EasyVS


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