Table 2.
Energetic assessment of the initial and final ERG11 Candida albicans model
| Proteins | Energy parameters | ||||||
|---|---|---|---|---|---|---|---|
| Bonds energy (KJ/mole) | Angels energy (KJ/mole) | Torsion energy (KJ/mole) | Improper energy (KJ/mole) | Nonbonded energy (KJ/mole) | Electrostatic energy (KJ/mole) | Toal energy (KJ/mole) | |
| Intitial Model Wild ERG11 | 633.755 | 3071.161 | 2037.510 | 523.60 | -12946.40 | -13659.73 | -20340.652 |
| Final Model Wild ERG11 | 439.711 | 3200.458 | 2128.688 | 657.486 | -16825.04 | -14511.09 | -24909.789 |
| Template 4k0f.pdb | 1105.138 | 2512.448 | 2736.639 | 467.556 | -14620.22 | -13716.33 | -21514.770 |