Successful modern drug discovery research makes extensive use of structural data from target proteins, candidate drug molecules, and complexes of the two. This is not only to characterise protein-ligand interactions but also to design novel molecular motifs that mimic established compounds.

In this white paper we introduce CSD-CrossMiner, a highly versatile pharmacophore-based tool that offers several benefits within the drug discovery process.

Download this free white paper to find out how CSD-CrossMiner can be used to extract complex insights from crystal structures by:

  • Mining patterns in protein and small-molecule structures
  • Finding new chemistries from lead compounds - scaffold-hopping
  • Creating tailored scripts to answer specific research questions or integrate pharmacophore searches seamlessly into other workflows

crossminer whitepaper front cover