Affiliation:
1. Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA 15260, USA
Abstract
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.
Funder
National Institute of General Medical Sciences of the National Institutes of Health
Publisher
Oxford University Press (OUP)
Subject
Computational Mathematics,Computational Theory and Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Statistics and Probability
Cited by
58 articles.
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