Dataset A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins/L1_Faropenem_data Back to top level A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins Sub-levels DFTB3_MM_simulations_from_crystals Workflow Restrained R1 Subsequent DFTB3 Subsequent B3LYP Subsequent B3LYP with diffuse functions R2 Subsequent DFTB3 Subsequent B3LYP R3 Subsequent DFTB3 Unrestrained Data Resources hydroxide.lib TXT Explore Preview Download L1_LJ1264.parm7 TXT Explore Preview Download L1_LJ1264.rst7 TXT Explore Preview Download Read_me.txt TXT Explore Preview Download