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PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data
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    PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data
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    • Mariona Torrens-Fontanals
      Mariona Torrens-Fontanals
      Acellera Labs, C Dr Trueta 183, 08005 Barcelona, Spain
    • Panagiotis Tourlas
      Panagiotis Tourlas
      Acellera Labs, C Dr Trueta 183, 08005 Barcelona, Spain
    • Stefan Doerr
      Stefan Doerr
      Acellera Labs, C Dr Trueta 183, 08005 Barcelona, Spain
      More by Stefan Doerr
    • Gianni De Fabritiis*
      Gianni De Fabritiis
      Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr. Aiguader 88, 08003 Barcelona, Spain
      Acellera, Devonshire House, 582 Honeypot Lane, HA7 1JS Stanmore Middlesex, United Kingdom
      Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluis Companys 23, 08010 Barcelona, Spain
      *E-mail: [email protected]
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    Journal of Chemical Information and Modeling

    Cite this: J. Chem. Inf. Model. 2024, 64, 3, 584–589
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    https://doi.org/10.1021/acs.jcim.3c01776
    Published January 24, 2024
    Copyright © 2024 American Chemical Society

    Abstract

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    PlayMolecule Viewer is a web-based data visualization toolkit designed to streamline the exploration of data resulting from structural bioinformatics or computer-aided drug design efforts. By harnessing state-of-the-art web technologies such as WebAssembly, PlayMolecule Viewer integrates powerful Python libraries directly within the browser environment, which enhances its capabilities to manage multiple types of molecular data. With its intuitive interface, it allows users to easily upload, visualize, select, and manipulate molecular structures and associated data. The toolkit supports a wide range of common structural file formats and offers a variety of molecular representations to cater to different visualization needs. PlayMolecule Viewer is freely accessible at open.playmolecule.org, ensuring accessibility and availability to the scientific community and beyond.

    Copyright © 2024 American Chemical Society

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    This article is cited by 6 publications.

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    2. Pedro Febrer Martinez, Valerio Rizzi, Simone Aureli, Francesco Luigi Gervasio. Host–Guest Binding Free Energies à la Carte: An Automated OneOPES Protocol. Journal of Chemical Theory and Computation 2024, 20 (22) , 10275-10287. https://doi.org/10.1021/acs.jctc.4c01112
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    5. Antonio Mirarchi, Toni Giorgino, Gianni De Fabritiis. mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics. Scientific Data 2024, 11 (1) https://doi.org/10.1038/s41597-024-04140-z
    6. Xinyi Wang, Yangyang Zhang, Zhipeng Qi, Jiahui Xu, Jianjun Pei, Xianying Fang, Linguo Zhao. Dihydro-β-ionone production by a one-pot enzymatic cascade of a short-chain dehydrogenase NaSDR and enoate reductase AaDBR1. International Journal of Biological Macromolecules 2024, 277 , 134538. https://doi.org/10.1016/j.ijbiomac.2024.134538

    Journal of Chemical Information and Modeling

    Cite this: J. Chem. Inf. Model. 2024, 64, 3, 584–589
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jcim.3c01776
    Published January 24, 2024
    Copyright © 2024 American Chemical Society

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