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| Autor | Pires, Douglas Eduardo Valente | |
| Autor | Veloso, Wandré Nunes de Pinho | |
| Autor | Myung, YooChan | |
| Autor | Rodrigues, Carlos H M | |
| Autor | Silk, Michael | |
| Autor | Rezende, Pâmela Marinho | |
| Autor | Silva, Francislon | |
| Autor | Xavier, Joicymara Santos | |
| Autor | Velloso, João Paulo Linhares | |
| Autor | Silveira, Carlos H da | |
| Autor | Ascher, David B | |
| Fecha de acceso | 2023-05-23T15:51:54Z | |
| Fecha de disponibilización | 2023-05-23T15:51:54Z | |
| Fecha de publicación | 2020 | |
| Referencia | 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 | |
| Idioma | eng | en_US |
| Editor | Oxford University Press | en_US |
| Derechos de autor | restricted access | |
| Título | EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening | en_US |
| Tipo del documento | Article | |
| DOI | 10.1093/bioinformatics/btaa480 | |
| Resumen en Inglés | 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 |
| Afiliación | 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 |
| Afiliación | Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil. | en_US |
| Afiliación | 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 |
| Afiliación | 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 |
| Afiliación | 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 |
| Afiliación | Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil. | en_US |
| Afiliación | Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil. | en_US |
| Afiliación | 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 |
| Afiliación | Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil. | en_US |
| Afiliación | Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil. | en_US |
| Afiliación | 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 |
| Fecha de embargo | 2099-12-31 |
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