OpenGrowth

OpenGrowth is a research program which grows new ligands in proteins by connecting small organic fragments. The details can be found in the original publication "OpenGrowth: an automated and rational algorithm for finding new protein ligands" (J. Med. Chem., http://dx.doi.org/10.1021/acs.jmedchem.5b00886).

To use OpenGrowth, you will need OpenGrowth_1.0.zip and Resources_1.0.2.zip that can be found by clicking on the Files menu in the horizontal bar at the top (https://sourceforge.net/projects/opengrowth/files). OpenGrowthGUI, FOG2.0, and the 3Mer-Screen stand-alone can be found in OpenGrowth_1.0.zip. To prepare new fragments you need BuildingFragments_1.0.1.zip and the scripts for MD simulations are in MD-Scripts_1.0.1.zip. SMoG2016.tar.gz allows to compute a score with the newly developed function (J. Chem. Inf. Mod., http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00610).

For any questions, please send emails exclusively at opengrowth-discuss@lists.sourceforge.net.

Features

Drug design

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License

GNU General Public License version 3.0 (GPLv3)

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Additional Project Details

Operating Systems

Linux, Mac, Windows

Languages

English

Intended Audience

End Users/Desktop, Healthcare Industry, Science/Research

User Interface

Programming Language

C++

Related Categories

C++ Molecular Science Software, C++ Chemistry Software

Registered

2015-09-04

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