Author | Pires, Douglas Eduardo Valente | |
Author | Veloso, Wandré Nunes de Pinho | |
Author | Myung, YooChan | |
Author | Rodrigues, Carlos H M | |
Author | Silk, Michael | |
Author | Rezende, Pâmela Marinho | |
Author | Silva, Francislon | |
Author | Xavier, Joicymara Santos | |
Author | Velloso, João Paulo Linhares | |
Author | Silveira, Carlos H da | |
Author | Ascher, David B | |
Access date | 2023-05-23T15:51:54Z | |
Available date | 2023-05-23T15:51:54Z | |
Document date | 2020 | |
Citation | PIRES, Douglas Eduardo Valente et al. EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening. Bioinformatics, v. 36, n. 14, p. 4200-4202, 2020. doi: 10.1093/bioinformatics/btaa480. | en_US |
ISSN | 1367-4803 | en_US |
URI | https://www.arca.fiocruz.br/handle/icict/58583 | |
Language | eng | en_US |
Publisher | Oxford University Press | en_US |
Rights | restricted access | en_US |
Title | EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening | en_US |
Type | Article | en_US |
DOI | 10.1093/bioinformatics/btaa480 | |
Abstract | The Summary: 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. | en_US |
Affilliation | School of Computing and Information Systems. University of Melbourne. Melbourne 3010, Australia/Computational Biology and Clinical Informatics. Baker Heart and Diabetes Institute. Melbourne 3004, Australia/Department of Biochemistry and Molecular Biology. Bio21 Institute. University of Melbourne. Melbourne 3010, Australia | en_US |
Affilliation | Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil. | en_US |
Affilliation | Computational Biology and Clinical Informatics. Baker Heart and Diabetes Institute. Melbourne 3004, Australia/Department of Biochemistry and Molecular Biology. Bio21 Institute. University of Melbourne. Melbourne 3010, Australia. | en_US |
Affilliation | Computational Biology and Clinical Informatics. Baker Heart and Diabetes Institute. Melbourne 3004, Australia/Department of Biochemistry and Molecular Biology. Bio21 Institute. University of Melbourne. Melbourne 3010, Australia. | en_US |
Affilliation | Computational Biology and Clinical Informatics. Baker Heart and Diabetes Institute. Melbourne 3004, Australia/Department of Biochemistry and Molecular Biology. Bio21 Institute. University of Melbourne. Melbourne 3010, Australia. | en_US |
Affilliation | Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil. | en_US |
Affilliation | Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil. | en_US |
Affilliation | Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil/Universidade Federal dos Vales do Jequitinhonha e Mucuri. Instituto de Ciências Agrárias. Unaí, MG, Brazil. | en_US |
Affilliation | Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil. | en_US |
Affilliation | Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil. | en_US |
Affilliation | Computational Biology and Clinical Informatics. Baker Heart and Diabetes Institute. Melbourne 3004, Australia/Department of Biochemistry and Molecular Biology. Bio21 Institute. University of Melbourne. Melbourne 3010, Australia/Department of Biochemistry. University of Cambridge. Cambridge, CB2 1GA, UK. | en_US |
Embargo date | 2099-12-31 | |