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bioRxiv · 10.1101/2019.12.18.881789

Webina: An Open-Source Library and Web App that Runs AutoDock Vina Entirely in the Web Browser

Kochnev, Y.·Hellemann, E.·Cassidy, K. C.·Durrant, J. D.
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Abstract

1Molecular docking is a computational technique for predicting how a small molecule might bind a macromolecular target. Among docking programs, AutoDock Vina is particularly popular. Like many docking programs, Vina requires users to download/install an executable file and to run that file from a Unix- or DOS-like command-line interface. Choosing proper configuration parameters and analyzing Vina output is also sometimes challenging. These issues are particularly problematic for students and novice researchers. We have created Webina, a new version of Vina, to address these challenges. Webina is a JavaScript/WebAssembly library that runs AutoDock Vina entirely in a web browser. To use Webina, users need only visit a Webina-enabled webpage. The docking calculations take place on the users own computer rather than a remote server. To encourage use, we have incorporated the Webina library into our own Webina web app. The app includes a convenient interface so users can easily setup their docking runs and analyze the results. Webina will be a useful open-source tool for the research and educational communities. A working version of the app can be accessed free of charge from http://durrantlab.com/webina.

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Kochnev, Y., Hellemann, E., Cassidy, K. C., Durrant, J. D.. 2019-12-19. Webina: An Open-Source Library and Web App that Runs AutoDock Vina Entirely in the Web Browser. https://doi.org/10.1101/2019.12.18.881789

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