Dataset A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins/ACE_data/Workflow/Unrestrained/R1/Subsequent DFTB3 Back to top level A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins Up one level A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins/ACE_data/Workflow/Unrestrained/R1 Sub-levels Subsequent B3LYP Subsequent B3LYP with diffuse functions Data Resources DFTB3.i TXT Explore Preview Download DFTB3.nc BIN Explore More information Go to resource