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2099-12-31
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EASYVS: A USER-FRIENDLY WEB-BASED TOOL FOR MOLECULE LIBRARY SELECTION AND STRUCTURE-BASED VIRTUAL SCREENING
Author
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
Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil.
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.
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.
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.
Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil.
Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil.
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.
Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil.
Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil.
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.
Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil.
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.
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.
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.
Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil.
Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil.
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.
Fundação Oswaldo Cruz. Instituto René Rachou. Belo Horizonte, MG, Brazil.
Universidade Federal de Itajubá. Institute of Technological Sciences. Itabira, MG, Brazil.
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.
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.
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