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. 2021 Sep 15;17(10):6634–6646. doi: 10.1021/acs.jctc.1c00408

Table 3. Force Fields (FF), Total Production Run Times (t), and Temperatures (T) of All the Simulations.

peptide(s) FF t (μs) T (K)
A7, P-113, P13, V1, V2, V3, V4, Pep3 A 5 300
A7, P13, V1, V2, V2.2, V3, V4, Pep3 B 5 300
A7, P-113, P13, V1, V2, V3, V4, Pep3 C 5 300
A7, P-113, P13, V1, V2, V3, V4, Pep3 D 5 300
P-113 B 12 300
Hst5 A 5 293
Hst5 B 7 293
Hst5 C 5 293
Hst5 D 5 293