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| MD simulation
parameters |
|||||||||
|---|---|---|---|---|---|---|---|---|---|
| average RMSD (nm) | average RMSF (nm) | average Rg (nm) | average SASA (nm2) | kinetic energy (kJ/mol) | potential energy (kJ/mol) | enthalpy (kJ/mol) | volume (nm3) | density (kg/m3) | |
| tyrosine phosphatase 1b | 0.351137 | 0.1494 | 1.89354 | 134.992 | 160029 | –973265 | –813198 | 637.851 | 1025.4 |
| tyrosine phosphatase 1b- epicatechin complex | 0.355333 | 0.1809 | 1.90585 | 139.833 | 112422 | –601159 | –488709 | 459.992 | 1008.44 |
