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

Project Samples

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow OpenGrowth

OpenGrowth Web Site

Other Useful Business Software

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.

Start Free

Rate This Project

User Reviews

Be the first to post a review of OpenGrowth!

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

Similar Business Software

ChemInventory

ChemInventory helps you organize your laboratory's chemical stock, cutting the time spent by your group members searching for compounds, and letting them get on with their work. ChemInventory is secure, cloud-based software that allows you to manage the chemical containers in your laboratory....

See Software
ActCAD Software

ActCAD is a native dwg/dxf cad software suitable for professional 2D drafting and 3D modeling projects. ActCAD is trusted by over 30000 users in over 103 countries for more than 10 years. The interface, commands, icons, dialogs, shortcuts etc. are very much similar to other popular cad software...

See Software
SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software
Clearooms

The way we work has changed and Clearooms puts you in complete control of your hybrid workspace. Both meeting rooms and hot desk booking can be easily managed to ensure flexible and safe working, however big or small your organization. Our pricing model is based on the number of desks and rooms...

See Software
Dronedesk

Are you wasting hours on drone flight planning? Still using spreadsheets, doc templates, and paper checklists? If so, it's time to switch to Dronedesk, the web-based drone operations management application that makes planning safe drone flights super-efficient. Dronedesk does all the...

See Software
Altium Develop

Altium Develop is a multidisciplinary product creation platform that breaks down silos and empowers teams to design collaboratively without limits. Built on Altium Designer and Altium 365, it unifies electrical, mechanical, software, sourcing, and manufacturing teams in a shared environment....

See Software