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. 2017 May 17;2(5):2134–2147. doi: 10.1021/acsomega.7b00018

Table 2. Details of the Simulated Aβ Systemsa.

type name solvent d0 SW SG box dimensions (Å3) Ttotal
monomer PW-M water   12 905   74 × 79 × 69 0.6
monomer PG-M water–glucose   9136 135 71 × 76 × 67 0.6
dimer PW-D water 33 22 284   107 × 91 × 71 0.6
dimer PG-D water–glucose 33 14 968 218 103 × 87 × 67 0.6
a

The initial intermonomer center of mass distance (d0, in angstrom), number of solvent water (SW) and solvent glucose (SG) molecules, initial dimensions of the simulation box, and the cumulative simulation times (Ttotal, in microseconds) are specified.