EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening | Zendy

Douglas E. V. Pires | Zendy; Wandré Nunes de Pinho Veloso | Zendy; Yoochan Myung | Zendy; Carlos H. M. Rodrigues | Zendy; Michael Silk | Zendy; Pâmela Marinho Rezende | Zendy; Francislon Silva | Zendy; Joicymara S. Xavier | Zendy; João Paulo Linhares Velloso | Zendy; Carlos Henrique da Silveira | Zendy; David B. Ascher | Zendy

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EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening

Author(s) -

Douglas E. V. Pires,

Wandré Nunes de Pinho Veloso,

Yoochan Myung,

Carlos H. M. Rodrigues,

Michael Silk,

Pâmela Marinho Rezende,

Francislon Silva,

Joicymara S. Xavier,

João Paulo Linhares Velloso,

Carlos Henrique da Silveira,

David B. Ascher

Publication year - 2020

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btaa480

Subject(s) - selection (genetic algorithm) , user friendly , computer science , virtual screening , web site , world wide web , the internet , bioinformatics , artificial intelligence , operating system , biology , drug discovery

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.

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