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Iran Virtual Screening (IranVScreen): An Integrated Virtual Screening Interface

Jafari Sabet, Majid and Baratian, Ali and Habibi, Mohammad and Hadizadeh, Farzin (2015) Iran Virtual Screening (IranVScreen): An Integrated Virtual Screening Interface. Journal of Archives in Military Medicine, 3 (3). ISSN 2345-5071

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Abstract

Background: Virtual screening (VS), as a computational technique, is being used widely in drug discovery research. One of the widely used VS methods is based on the docking of every ligand structure in a specific macromolecule. Multiple popular VS tools do not provide a graphic user interface (GUI). Objectives: In the present study, we have developed a VS software: IranVScreen, which is an easily operable tool for medicinal chemists and pharmacologists to carry out multiple practical virtual screening tasks. Materials and Methods: The software was developed using Microsoft’s Visual Studio 2012 in visual basic and C++. It integrates Open Babel and Autodock Vina platforms. The software includes an easy to use Persian localized GUI. IranVScreen is composed of three application layers: application layer, class interface layer and software entity layer. Application layer consists of three functional nodes. The software entity layer includes the external tools. Results: The GUI provides the required data to other modules and displays the results to the user. Conclusions: These results describe that IranVScreen provides a very intuitive all-in-one GUI to carry out multiple VS tasks in several mouse clicks with minimal requirement of skill. This software localized in Persian language surpasses the language barrier for novice users.

Item Type: Article
Subjects: W Health professions > Medical Education W.18
Depositing User: User Mehran Mazaheri
Date Deposited: 24 Apr 2017 06:29
Last Modified: 24 Apr 2017 06:29
URI: http://eprints.ajaums.ac.ir/id/eprint/3642

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