. Author manuscript; available in PMC: 2020 May 1.

Published in final edited form as: J Chem Theory Comput. 2019 Sep 30;15(11):6190–6202. doi: 10.1021/acs.jctc.9b00602

Table 3.

Extrapolated PB energies (kcal/mol, at the limiting grid spacing of 0 Å) for the 8 selected protein molecules from Figure 4.

Methods	HA	2^nd order HA	χ factor HA	IIM
1aci	−1029	−1028	−1025	−1024
1ah9	−1015	−1013	−1010	−1009
1b22	−747.9	−747.5	−745.5	−745.4
1aw0	−1063	−1060	−1059	−1058
1bbi	−1108	−1107	−1105	−1101
1bdc	−795.2	−794.9	−793.6	−793.8
1bw6	−1509	−1506	−1503	−1503
1c75	−902.4	−900.4	−898.4	−898.2