Table 1.
Sample Name | Etotal/kcal mol−1 | EDP/kcal mol−1 | Ebinding/kcal mol−1 |
---|---|---|---|
TDP5 | −3260.71 | −255.07 | 20.27 |
TDP15 | −3532.09 | −461.37 | 86.09 |
TDP25 | −3748.53 | −607.34 | 155.82 |
TDP35 | −4096.18 | −821.52 | 289.29 |
Sample Name | Etotal/kcal mol−1 | EDP/kcal mol−1 | Ebinding/kcal mol−1 |
---|---|---|---|
TDP5 | −3260.71 | −255.07 | 20.27 |
TDP15 | −3532.09 | −461.37 | 86.09 |
TDP25 | −3748.53 | −607.34 | 155.82 |
TDP35 | −4096.18 | −821.52 | 289.29 |