Skip to main content

Table 2 MMPBSA calculation results

From: PknB remains an essential and a conserved target for drug development in susceptible and MDR strains of M. Tuberculosis

Energetic contributions

KJ/mol

Van-der-Waal energy

−225.117 ± 11.889

Electrostatic energy

−93.523 ± 15.703

Polar solvation energy

268.278 ± 23.834

SASA energy

−21.201 ± 0.721

Binding energy

−71.564 ± 19.084