Program for protein-ligand complex structure

We have developed a program NMR Studio for

– the back-calculation of CSP from virtual ligand positions in the protein structure (generated by docking),

– the comparison of back calculated CSP with experimental CSP values,

– the ranking of the ligand positions according to the agreement between experimental and back-calculated CSP data.


if you are interested in NMR Studio program, please contact Pulsalys here