Protein–Ligand Docking Software
GOLD is the validated, configurable protein–ligand docking software for expert drug discovery. For virtual screening through to lead optimization.
Customize with constraints to guide results towards known features or behaviours, and assess the impact of water molecules on the docking. Or use the wizard for quick protein-ligand docking results.
The extensively validated scoring functions in GOLD are trusted by scientists globally for pose prediction and virtual screening – with results seen across the literature.
Validate your ligand docking results and optimise hits to leads.
Highly configurable constraints
Use your existing knowledge of the system to bias results and focus on known features and behaviours.
Multiple scoring functions
Score and rescore to build a full picture of your system or perform consensus scoring.
Perform ensemble docking or handle flexible side-chains with soft potentials.
Assess how structural waters affect binding, and see if the ligand displaces waters or mediates the interaction during docking.
Unlimited potential with virtual screening powered by cloud or cluster (HPC).
Python API access
Run dockings programmatically - for parameter optimisation and workflow incorporation.
Perform protein-ligand docking in the KNIME interface to easily build into pipelines of work.
Understand irreversible binding with covalent docking to explore cancer, immunology, and infectious disease targets.
Introduction to docking using GOLD
Explore our complete list of up-to-date FAQs in our knowledgebase at the link above.