AUDocker LE: A GUI for virtual screening with AUTODOCK Vina.
BACKGROUND
AUTODOCK Vina is an open-source program which is steadfast and authentic to perform docking simulations. Though, Auto Dock Tools can help perform docking simulations with Vina, it largely remains as a platform for docking single molecule at a time.


RESULTS
"AUDocker LE" is designed with an aim to develop a software tool as a front end graphical interface with C# language to perform docking experiments in Windows based computers. It helps users to perform automated continuous docking of large ligand databases into a set of predefined protein targets. It will also help the user to analyze the results to select promising lead molecules.


CONCLUSIONS
AUDocker LE provides a straight forward graphical interface which can be used in a standard personal computer with Microsoft Windows XP or Windows 7 as the operating system where Autodock Vina, Python 2.5 and .net frame work are preinstalled.
Pharmaceutical Chemistry Research Labs, College of Pharmaceutical Sciences, Andhra University, Visakhapatnam - 530003 India. sdis_au@rediffmail.com.
Gaddam
G
Sandeep
Kurre Purna
KP
Nagasree
Muppaneni
M
Hanisha
Muthyala Murali Krishna
MM
Kumar