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. 2016 Nov 22;13(1):180–190. doi: 10.1021/acs.jctc.6b00981

Table 5. Polarization Energies of Protein Droplet and Ionic Liquids.

system ncp7 ubiquitin dhfr [dmim+][Cl−]
ref –24202.54 –11154.87 –28759.01 –1476.79
ExPT –27362.70 –10919.77 –28076.62 –5841.73
TCG1 –21733.63 –9897.22 –25583.50 –1428.35
TCG2 –23922.79 –11031.67 –28463.51 –1420.00
TCG3 –24262.87 –11174.93 –28812.99 –1450.22
TPCG1 (P = diag) –21438.14 –9907.09 –25588.07 –1465.66
TPCG2 (P = diag) –23613.31 –10948.32 –28206.73 –1462.22
TPCG3 (P = diag) –24219.49 –11164.62 –28775.53 –1469.89
TPCG1 (P = Skeel) –22489.55 –10458.44 –27030.86 –1424.49
TPCG2 (P = Skeel) –24056.53 –11090.36 –28637.35 –1469.05
TPCG3 (P = Skeel) –24208.22 –11144.53 –28763.55 –1477.02