Binding free energies (kcal/mol) between PBP2x protein and cefuroxime (CES) in the two complexes.

ELE, electrostatic interactions; VDW, van der Waals interactions between the fragments; INT, internal energy arising from bond, angle and dihedral terms in the MM force field; GAS, total gas phase energy (sum of ELE, VDW and INT); PBSUR/GBSUR, nonpolar contribution to solvation; PBCAL/GB, the electrostatic contribution to the solvation free energy calculated by PB or GB respectively; PBSOL/GBSOL, sum of nonpolar and polar contributions to solvation; PBELE/GBELE, sum of the electrostatic solvation free energy and MM electrostatic energy; PBTOT/GBTOT, estimated total binding free energy calculated from the terms above.