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. 2010 Jul 8;1(15):2279–2283. doi: 10.1021/jz100665c

Table 2. Fraction of Conformers and CPU Time Ratio.

method PII [%] αR [%] CPU time ratio
our model 22.12 10.62 4.38 × 10−5
Pettitt and Karplus 17.58 0.29 4.38 × 10−5
GB/SA 18.75 6.37 5.03 × 10−5
explicit MD 26.18 4.52 1