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Updated: Dec 18, 2025
Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
Published on: August 9, 2024
Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser
Yuri Kochnev1, Erich Hellemann1, Kevin C Cassidy1
1Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA 15260, USA.
Motivation:
Molecular 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 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.
Results:
We created Webina, a new version of Vina, to address these challenges. Webina runs Vina entirely in a web browser, so users need only visit a Webina-enabled webpage. The docking calculations take place on the user's own computer rather than a remote server.
Availability And Implementation:
A working version of the open-source Webina app can be accessed free of charge from http://durrantlab.com/webina.
Supplementary Information:
Supplementary data are available at Bioinformatics online.
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