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 |