Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser.

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