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Table_1.xls (5.5 kB)

ΔΔGcrowding values for selected model systems described in the text.

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posted on 2014-06-10, 03:06 authored by Helena W. Qi, Priyanka Nakka, Connie Chen, Mala L. Radhakrishnan

ΔΔGcrowding values broken into components (LDP, RDP, int, and total) for systems not shown in Fig. 3. In the first two rows, the outer dielectric constant is varied as a substitute for explicitly modeling crowders. In the next set of rows (ϵin = 1, ϵin = 4), the internal dielectric constant was changed to 1 and compared with the control value of the reference system (ϵin = 4, also the rightmost bar in Fig. 3). The last four rows show the effect of nonzero ionic strength. For maximal control, all components were re-evaluated at a slightly lowered grid both without ions (“0 M ions, same, lower grid”) and with ions (“0.145 ions, same, lower grid”). Additionally, crowders were either kept the same as they were in the 50 trials of the reference system (“same”) or were randomly varied (“random”).

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