Complexes after comparative docking

Receptor: model based on 1DFI chain:B
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
NAD_B_6 0.000 6.1 0.76 49.5 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1DFI Raw