Table 1.
List of open source software implemented by the dockECR protocol and the reported application.
| Name | Version/Year |
|---|---|
| AutoDock Vina | 1.1.2 |
| rDock | 2013.1 |
| LeDock | 2015 |
| Smina | 1.0 |
| Gromacs | 5.1.4 |
| RDKit | 2020.03.1 |
| BioPython | 1.77 |
| OpenBabel | 2.3.2 |
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