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| Name ▲▼ | Object ▲▼ | Autor ▲▼ | T, K ▲▼ | t, ns ▲▼ | Programm ▲▼ |
|---|---|---|---|---|---|
| HIV-1 protease mutant Leu90Met | HIV-1 | Kovalskiy D. | 298 | 10 | GROMACS |
| HIV-1 protease mutant Leu10Ile | HIV-1 | Kovalskiy D. | 298 | 10 | GROMACS |
| HIV-1 protease flap domains mutants Glu35Gln/Met36Ile/Ser37Asp/Arg57Lys | HIV-1 | Kovalskiy D. | 298 | 10 | GROMACS |
| HIV-1 protease core domains mutants Ala71Val/Gly73Ser/Ile93Leu | HIV-1 | Kovalskiy D. | 298 | 10 | GROMACS |
| HIV-1 protease 1G6L (GNat) | HIV-1 | Kovalskiy D. | 298 | 10 | GROMACS |
| HIV-1 protease (1HHP) with monoprotonated active center | HIV-1 | Kovalskiy D. | 300 | 5.0 | GROMACS |
| HIV-1 protease (1HHP) with deprotonated active center | HIV-1 | Kovalskiy D. | 300 | 5.0 | GROMACS |
| HIV-1 protease (1HHP) using generalised reaction field | HIV-1 | Kovalskiy D. | 300 | 5.0 | GROMACS |
| HIV-1 protease (1HHP) using cut off radii | HIV-1 | Kovalskiy D. | 300 | 5.0 | GROMACS |
| HIV-1 protease (1HHP) short | HIV-1 | Kovalskiy D. | 300 | 0.1 | HyperChem 6.01 |
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