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. Author manuscript; available in PMC: 2014 Jul 8.
Published in final edited form as: Polymer (Guildf). 2013 May 22;54(15):3806–3820. doi: 10.1016/j.polymer.2013.05.038

Table 5.

The van der Waals volume and the solvent accessible surface (SAS) areas of model systems at 300K

# Model name VVDW
Å3
SASexp
Å2
Shid
Å2
SASdrug
%
1 pc13-0-0 10039 6273 6471 48
2 pc12-2-0-charge4 10580 6720 4097 69
2 pc12-2-0-charge4prp 10571 6855 5414 54
4 pc9-2-2-charge4 12298 7365 7655 71
10 pc10-2-2-charge4 12982 7439 7816 60
14 pc12-1-1-charge2 11849 7283 7316 79
17 pc11-1-1-charge2 11168 7233 6133 64