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Interaction energies of single melittin peptides in three states
| System | 1PW | 1PT | 1PS | |||
| Schematic |  |
 |
 |
|||
| Energies | LJ | electrostatic | LJ | electrostatic | LJ | electrostatic |
| −2331.4 ± 5.0 (0) | −1.1 ± 0.1 (0) | −2512.1 ± 2.7 (−180.8) | −12.0 ± 0.1 (−10.9) | −2597.2 ± 6.3 (−265.9) | −10.5 ± 0.1 (−9.4) | |
| Total | −2332.5 ± 5.1 (0) | −2524.1 ± 2.8 (−191.6) | −2607.8 ± 6.4 (−275.3) | |||
The energies are in kJ/mol. The numbers in parentheses are the energy differences with respect to the case of 1PW.
