| ATP | Adenosine-5’-Tri-Phosphate |
| CHARMM-GUI | Chemistry at HARvard Macromolecular Mechanics Graphical User Interface |
| GDT_TS | Global Distance Test Total Score |
| MD | Molecular Dynamics |
| MREMD | Multiplexed Replica Exchange Molecular Dynamics |
| NVE | constant Number of particles, constant Volume, constant Energy |
| NVT | constant Number of particles, constant Volume, constant Temperature |
| PDB | Protein Data Bank |
| RMSD | Root Mean Square Deviation |
| UNRES | UNited RESidue model of proteins |
| WHAM | Weighted Histogram Analysis Method |
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