How well BSSE calculations in Dmol3 can be justified in case of protein- ligand complex?
Where ligand is BSSE_Set1 and protein active site is BSSE_Set2.
Thank you very much.
How well BSSE calculations in Dmol3 can be justified in case of protein- ligand complex?
Where ligand is BSSE_Set1 and protein active site is BSSE_Set2.
Thank you very much.