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. 2018 Jun 7;13(6):e0198887. doi: 10.1371/journal.pone.0198887

Table 1. List of simulations.

Name Force field Mutated amino acids No. of simulations
TmAFP CHARMM - 5
AMBER - 5
OPLS - 5
TmAFP-m1 CHARMM T26L T38L T50L T62L 3
TmAFP-m2 CHARMM T16L T38L T40L T62L T64L 3
TmAFP-m3 CHARMM T16L T26L T28L T50L T52L T62L T64L 3