Skip to main content
. 2021 Apr 13;125(15):3942–3952. doi: 10.1021/acs.jpcb.1c00480

Table 1. Van der Waals Volumes and SSIP Interaction Parameters for DPD Beads.

bead vr3) positive SSIP εi negative SSIP εi
W 42.0 2.8, 2.8 –4.5, −4.5
ES 68.8 0.4, 0.4, 0.4, 0.4, 0.2, 0.2 –5.5, −5.5, −2.6
EO 48.7 0.4, 0.4, 0.4, 0.4 –5.3, −5.3
AC′ 31.9 0.4 –4.4, −4.4, −4.4, −4.4
AM2 73.2 2.9, 0.4, 0.4, 0.4, 0.4 –7.9, −7.9, −0.9, −0.9
AM3′ 85.6 0.4, 0.4, 0.4, 0.4, 0.4, 0.4 –7.9, −7.9, −0.9, −0.9
AM3 92.1 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4 –7.9, −7.9, −0.9, −0.9
T1 25.9 0.4, 0.4, 0.4 –0.3
T2 45.2 0.4, 0.4, 0.4, 0.4, 0.4 –0.3, −0.3
C2 38.9 0.4, 0.4, 0.4, 0.4 –0.3, −0.3
C2′ 32.2 0.4, 0.4, 0.4 –0.3, −0.3
OH1 34.7 2.7, 0.4, 0.4 –5.3, −5.3, −0.3
OH′ 28.1 2.7, 0.4 –5.3, −5.3, −0.3
OH2 43.8 2.7, 0.4, 0.4, 0.4 5.3, –5.3, −0.3
a

The distribution of SSIPs for each bead is illustrated in Figure 2 with SSIP values highlighted in bold represented by larger circles.