Discover new molecules
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.
- Perform protein-ligand docking experiments and virtual screening using GOLD
- 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
- Virtual Screening
What's New for CSD-Discovery 2017
- 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.
CSD-Discovery Future Developments
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