Complexes after comparative docking

Receptor: model based on 4DR8 chain:D
& 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
FMT_D_16 0.000 3.1 0.32 0.0 FORMIC ACID 4DR8 Raw