CSD-Discovery

For pharmaceutical and agrochemical researchers, CSD-Discovery provides in one place all the tools you need for discovering new molecules.

If you would like to become a user of CSD-Enterprise, simply follow this link.

Docking
- Perform protein-ligand docking experiments and virtual screening using GOLD
Geometry
- Validate your receptor-bound ligand geometry using the same CSD routines in place at the Protein Data Bank
- Drive the design of your ligands by knowledge driven prediction of their geometry
- Generate conformers derived directly from all the latest validated experimental data from the CSD
Interactions
- Analyse, predict and understand protein and ligand interactions using Full Interaction Maps and Superstar
Virtual Screening
- Utilise our new knowledge based virtual screening workflow to find new hits
Access

Create, or download from our portal, CSD-driven analyses and workflows. Publish them to your own menu in Mercury with the CSD Python API

Our focus on quality and usability continues through improvements in our leading docking software GOLD including the ability to:
- Make the most of your unlimited processes with streamlined licensing on clusters
- Automate and integrate preferred workflows with our first implementation of GOLD in the CSD Python API
No protein structure? No problem! To complement the structure-based virtual screening capabilities of GOLD, CSD-Discovery now includes a complete ligand-based workflow allowing you to:
- Produce experimentally realistic ensembles of conformers using our CSD-driven Conformer Generator
- Generate your pharmacophore from known binders using the improved Ligand Overlay application
- Screen your virtual library using the Field-Based Ligand Screener in the CSD Python API
Key to usability is, of course, education, so watch out for a series of new GOLD tutorials, in line with other new videos covering many application areas of the CSD-Enterprise family.