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. 2014 Aug 15;10(9):4152–4159. doi: 10.1021/ct500433d

Table 3. Five-State Results for Trialanine with Amber99SB Force Field and TIP3P Water with Both MD Prior and Random Coil Prior.

Amber99SB & TIP3P Y αL α β PII χ2
MD Prior Winitial(σ) 0.024(20) 1.3(20) 9.8(20) 31.7(20) 57.2(20) 9.46
Wbayesian(σ) 3.2(2.6) 3.5(2.7) 5.5(4.1) 2.0(1.8) 85.8(4.9) 2.10
RC Prior Winitial(σ) 20.0(20) 20.0(20) 20.0(20) 20.0(20) 20.0(20) 20.78
Wbayesian(σ) 4.0(3.0) 3.9(2.9) 7.6(5.1) 2.1(1.9) 82.4(5.6) 2.32