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. Author manuscript; available in PMC: 2019 May 5.
Published in final edited form as: J Comput Chem. 2019 Feb 18;40(12):1257–1269. doi: 10.1002/jcc.25783

Table 3.

Reaction field energies (kcal/mol) of eight selected proteins with analytical setup and the regulation treatment.

spacing 1aci 1ah9 1b22 1aw0 1bbi 1bdc 1bw6 1c75
1.000Å −1035.44 −1023.20 −754.93 −1065.92 −1108.35 −804.33 −1514.27 −908.97
0.500Å −1028.61 −1014.24 −748.51 −1061.08 −1103.45 −797.99 −1507.33 −901.28
0.333Å −1025.94 −1011.44 −746.64 −1059.50 −1102.77 −795.28 −1504.58 −899.36
0.250Å −1026.06 −1011.24 −746.53 −1059.39 −1103.41 −794.77 −1504.37 −899.20
0.125Å −1027.52 −1011.6 −745.98 −1059.60 −1104.72 −794.70 −1504.93 −899.54
lim values −1026 −1011 −745.9 −1059 −1103 −794.6 −1504 −898.7