Table 1. Calculation of binding energies and buried surface area.
ΔGint (kcal/mol) |
Buried area (Å2) |
|
---|---|---|
BMC-TD2 (closed) | −17.5 | 6044 |
BMC-TD2 (intermediate] | −18.2 | 6682 |
BMC-TS1 | −33.3 | 7198 |
ΔGint (kcal/mol) |
Buried area (Å2) |
|
---|---|---|
BMC-TD2 (closed) | −17.5 | 6044 |
BMC-TD2 (intermediate] | −18.2 | 6682 |
BMC-TS1 | −33.3 | 7198 |