Complexes after comparative docking

Receptor: model based on 2YCW chain:A
& 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
2CV_B_9 0.000 2.5 0.3 100.0 HEGA-10 2YCW Raw