Best database to screen

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People want to know, what is the best database to screen and the best technique to screen it? The answer depends on various circumstances, which we take up in turn:

NB this is work in progress

Experimental screen

Direct biophysical observation

  • Xray, NMR, SPR

Inferential endpoint?

  • spectrophotometric, HTS


virtual screen followed by cherry picked testing ?

  • Can wait 10 weeks vs ASAP (2 weeks)
  • Fragment or Leads?
  • Phenotypic or ligand discovery?
  • known ligands? analogs OK?
  • size of binding site
  • affinity needed?