MTA SZTAKI and the University of Westminster are proud to announce the opening of a public Molecular Docking Science Gateway. The gateway is freely accessible for bio-scientists and powered by the WS-PGRADE portal and the SZTAKI Desktop Grid technologies. Interested users can visit the gateway website and create an account for themselves at https://autodock-portal.sztaki.hu/.
The docking experiments are executed on the public EDGeS@home
desktop grid that offers the computational power of nearly 20,000 volunteer computers. The gateway currently supports three molecular docking scenarios for virtual screening and random blind docking. No specific computing expertise is required to execute the docking experiments as the execution is supported by an intuitive high level user interface. Please visit the gateway website for further information.
The gateway was developed within the framework of the EDGI and SCI-BUS