Table 3.
LRA Contributions (kcal/mol) of the Solvation Free Energies for the Reactant State of Different Systems
HG3 | HG3.3b | HG3.7 | HG3.17 | |
ΔGsolv | −28.2 | −30.5 | −26.5 | −29.4 |
KE07 | R3 I3/10 A | R6 3/7 F | ||
ΔGsolv | −39.5 | −33.87 | −22.7 |
LRA Contributions (kcal/mol) of the Solvation Free Energies for the Reactant State of Different Systems
HG3 | HG3.3b | HG3.7 | HG3.17 | |
ΔGsolv | −28.2 | −30.5 | −26.5 | −29.4 |
KE07 | R3 I3/10 A | R6 3/7 F | ||
ΔGsolv | −39.5 | −33.87 | −22.7 |