GOLD is a protein ligand docking software, part of CSD-Discovery package and GOLD+Systems, with features to perform virtual screening, lead optimisation, and identify the correct binding mode of active molecules.
To perform ultra-large, high throughput docking jobs you can run GOLD with cloud computing resources. This short video shows how to configure GOLD to run docking on cloud resources.
To facilitate drug discovery efforts, docking is used to rank potential drug compounds and only take promising leads to the next stage. Ultra-large docking refers to a high throughput version of this activity, where hundreds or thousands of compounds are docked and scored.
Of course this process is computationally demanding, so cloud resources can be used to speed the process. The cost of cloud computing has fallen in the past decade, while availability and choice of providers has risen, so this option is increasingly accessible to more people.
This 2 minute video outlines how GOLD can be run using cloud resources for ultra-large docking jobs.
Find out more about GOLD downloading our case studies, user guide, tutorials, and technical documentation here.
Contact us here if you don’t want to try GOLD, or need help setting it up for use with cloud resources.