This is the Linux app named OpenGrowth whose latest release can be downloaded as OpenGrowth_Manual_1.0.pdf. It can be run online in the free hosting provider OnWorks for workstations.
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SCREENSHOTS
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OpenGrowth
DESCRIPTION
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 [email protected].
Features
- Drug design
Audience
Healthcare Industry, Science/Research, End Users/Desktop
User interface
Qt
Programming Language
C++
This is an application that can also be fetched from https://sourceforge.net/projects/opengrowth/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
