Social Docking Налаштування

[nikelong]

http://socialdocking.appspot.com/

Help Social Docking find potential drugs to treat Alzheimer's and AIDS. This project "is the first attempt ever to attempt virtual screening of Massive Compound Libraries entirely using JavaScript." The script "runs a Metropolis Monte Carlo Search with the ligand constrained to a binding site in the target. Enthalpy is calculated using the General Amber Force Field and Entropy is considered by taking the average of the Boltzmann distribution (how well the ligand 'tumbles down' the energy hypersurface)."
To participate in the project, open the project's URL in your HTML5-enabled web browser. The project runs a script in the background when you leave the web page open in your browser (you can view other web pages in other tabs) and exits the script when you exit the project web page. The script completes one work unit (a test of one ligand against three receptors) in about 10 minutes. Note: after a few minutes your web browser may display a message saying that a script is taking to long to complete and asking if you want to allow the script to run or to stop the script. Allow the script to run.

The project is the first to make use of HTML5 web workers (long-running scripts that run in the background and are not interrupted by user-interface scripts or user inputs). It also uses XmlHttpRequest level 2 (Cross-Origin Resource Sharing (CORS)) and WebGL math libraries.