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.

CSD-Discovery Applications

  • 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
  • Virtual Screening
  • 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

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

    Brochure

    Brochure

    Datasheet

    Datasheet

    Newsletter

    Newsletter

    Components

    Components

    For More Information