Dataset Information
Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser.
Ontology highlight
ABSTRACT: 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.
SUBMITTER: Kochnev Y
PROVIDER: S-EPMC7575045 | biostudies-literature | 2020 Aug
REPOSITORIES: biostudies-literature
Publications
Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser.
Bioinformatics (Oxford, England) 20200801 16
<h4>Motivation</h4>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 nov ...[more]