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?