top of page
Molecular Modelling Studio
Alessandro Mazzanti
Hits indentification for target in cancer therapy
preprocessing and
pharmacophore-based filtering
> 5'000'000
database of commercially available compounds
MW: from 450 to > 500
logP: from -1 to > 5
> 50'000
library
12
top hits
with key interactions
LE < -0,30
VS and postprocessing
bottom of page