Welcome to Docking@Home
Docking@Home is a project which uses Internet-connected computers to perform scientific calculations that aid in the creation of new and improved medicines. The project aims to help cure diseases such as Human Immunodeficiency Virus (HIV). Docking@Home is a collaboration between the University of Delaware, The Scripps Research Institute, and the University of California - Berkeley. It is part of the Dynamically Adaptive Protein-Ligand Docking System project and is supported by the National Science Foundation.
How Does It Work?
Before new drugs can be produced for laboratory testing, researchers must create molecular models and simulate their interactions to reveal possible candidates for effective drugs. This simulation is called docking. The combinations of molecules and their binding orientations are infinite in number. Simulating as many combinations as possible requires a tremendous amount of computing power. In order to reduce costs, researchers have decided that an effective means of generating this computing power is to distribute the tasks across a large number of computers.
How Can I Help?
By downloading a free program developed at University of California - Berkeley called BOINC, you can contribute your computer's idle processing cycles to the Docking@Home project. It's safe, easy to setup, and runs only when you want it to so it won't affect your ability to use your computer. If you are interested in finding out more information, you can read more about the project and the science behind it, or if you are ready to help, you can get started below.
Rechenkraft.net is Germany's first and so far biggest non-for-profit distributed and grid computing organization. Their goal is to support education, research and science through the use of distributed & grid computing technology
Docking@Home ligand dataset available for download!
December 23, 2013 17:37 EST
The dataset of sampled ligands generated by Docking@Home with the help of our volunteers is now publicly available for download through this link! It is by far the largest public dataset of docked ligands that have been generated by volunteers’ desktops and laptops. Explore the results we have collected over the pas ... (more)
Papers' section updated
December 23, 2013 16:37 EST
We have updated our papers' section. Now this section also features our recent poster in SC13 and papers showcasing the efforts in efficient data analyses of Docking@Home datasets and investigating the gender differences in our volunteers. We also put together the presentation slides of both papers for you to read! ... (more)
Founder of CHARMM won the 2013 Nobel Prize in Chemistry!
October 09, 2013 10:20 EST
Martin Karplus received the 2013 Nobel Prize in Chemistry, together with Michael Levitt and Arieh Warshel for "the development of multiscale models for complex chemical systems". Karplus is the father of CHARMM which is the code used in our Docking@Home project. This Nobel is an acknowledgment to the work done in the past 30 years with computational models and supercomputers in molecular dynamics ... (more)
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