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. 2014 Sep;1844(9):1530–1540. doi: 10.1016/j.bbapap.2014.04.020

Table 2.

Overview of simulated systems.

Water molecules Box edge length [nm] Total number of atoms
IgG1-Fc-CH3 wild-type 10,245 6.91 31,812
Q418L 9387 6.83 30,585
S424T 9813 6.81 30,517
Q418L/S424T 9833 6.83 30,574
stem(0) 9879 6.84 30,700
stem-(0) 9808 6.82 30,489
stem(5) 11,010 7.01 34,123
stem-(5) 11,151 7.11 34,548