Table 2.
Name | WT | I50V | V82A | I84V | ||||
---|---|---|---|---|---|---|---|---|
Theory | Expt. | Theory | Expt. | Theory | Expt. | Theory | Expt. | |
SWCNT(3,3) | −70.85 | - | −64.88 | - | −56.65 | - | −48.22 | - |
SWCNT(5,5) | −120.55(±29.26)r | - | - | - | - | - | - | - |
Fullerene C60 | −1.25p | 8−11q | ||||||
Darunavir | −15.33a | −15.20i | −10.88a | −11.90f | −12.20c | −11.66c | ||
Amprenavir | −9.83 −20.02h −15.10 |
−13.20k | −12.6d | −11.4e | −14.0d | −12.3e | ||
Saquinavir | −11.37 | −14.24j | ||||||
Indinavir | −11.29 | −13.24l | 0.79b | |||||
Nelfinavir | −11.18 | −12.34m | ||||||
Lopinavir | −12.69 | −14.30o | ||||||
Ritonavir | −11.51 | −14.84n | ||||||
Tipranavir | −11.49 | −14.60o | ||||||
Atazanavir | −27.77g | −14.30o | −18.52g |
All values are given in kcal/mol.
Meher et al. [39];
Mahalingam et al. [42];
Tie et al. [40];
Kar & Knecht [43];
Shen et al. [44];
Kovalevsky et al. [22];
Alcaro et al.[45];
Ref[46];
Ref.[47];
Ref.[48];
Ref.[49];
Ref. [50];
Ref. [51];
Ref. [52];
Ref. [53];
Ref. [20];
Ref. [3];
Ref. [19]