TABLE 3.
Interaction energies (ΔE) of CD46 with Ad11 and Ad7
| System | RI/MP2/SVP ΔE (kJ/mol)
|
MMFF force field ΔE (kJ/mol)
|
||
|---|---|---|---|---|
| Ad11-CD46 | Ad7-CD46 | Ad11-CD46 | Ad7-CD46 | |
| Total | −1,329.4 | −981.3 | ||
| S9a | −354.4 | −275.6 | −410.4 | −299.3 |
| S7b | −263.3 | −267.5 | −274.3 | −283.7 |
Residues 35, 63, 64, 245, 246, 247, 250, 279, 280.
Residues 35, 63, 64, 245, −, 247, 250, −, 280.