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OpenGrowth_Manual_1.0.1.pdf 2018-09-03 2.7 MB
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OpenGrowth_1.0.1.zip 2018-09-03 32.7 MB
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Readme.txt 2017-04-27 1.2 kB
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OpenGrowth_1.0.zip 2017-04-26 34.8 MB
2 2 weekly downloads
OpenGrowth_Manual_1.0.pdf 2017-04-26 2.6 MB
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Resources_1.0.2.zip 2017-04-26 26.8 MB
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SMoG2016.tar.gz 2017-02-22 29.0 kB
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OpenGrowth_Manual_0.43.pdf 2015-09-24 2.4 MB
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OpenGrowth_0.43.zip 2015-09-24 52.0 MB
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MD-Scripts_1.0.1.zip 2015-09-04 138.3 kB
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BuildingFragments_1.0.1.zip 2015-09-04 376.7 kB
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Resources_1.0.1.zip 2015-09-04 28.5 MB
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Totals: 12 Items   183.0 MB 2 
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. To register to the mailing list, go here: https://lists.sourceforge.net/lists/listinfo/opengrowth-discuss. To see the archives of the list, go there: https://sourceforge.net/p/opengrowth/mailman/opengrowth-discuss/.
Source: Readme.txt, updated 2017-04-27