Hello all,
I have a task i would like someone to help me with; i have been at it for several months now but i can't seem to make any headway.
:designing novel ligands using the fragment-based approach (de novo) that can bind to binding site (highlighted in yellow).
I have uploaded the files; the target protein (the aa that consititute the binding site are highlighted in yellow), and the small library of
fragments that i used; please feel free to use any other library as you may see fit.
many thanks,
Martis.