Enthalpic and entropic contributions and binding free energies between the complexes in square brackets evaluated within the MM/PBSA and normal mode analysis scheme.

The top part of the table estimates the binding of EGCg or EMD 57033 to cCTnC; the middle part estimates the binding of EGCg when the anchoring part of cTnI is present; the bottom part of the table evaluates the inter-protein binding between the anchoring part of cTnI with cCTnC in the investigated models. Replica simulations are shown on consecutive rows.