Table 2.
Representative computational and bioinformatics tools for structure-based virtual screening published in recent years.
| Platform | Functions and features | Link | Year |
|---|---|---|---|
| EasyVS | Molecule library construction and docking | http://biosig.unimelb. edu.au/easyvs/ | 2020 |
| HawkDock | Prediction and analysis of protein–protein complex based on docking and MM/GBSA | http://cadd.zju.edu.cn/hawkdock/ | 2019 |
| DockThor 2.0 | Protein-ligand docking and binding mode prediction utilizing high-performance platform and supercomputer | http://www.dockthor.lncc.br/ | 2017 |
| pepATTRACT | Large-scale protein–peptide docking | http://bioserv.rpbs.univ- paris-diderot.fr/services/pepATTRACT/ | 2017 |
| AMMOS2 | Protein–ligand–water complexes refinement via molecular mechanics | http://drugmod.rpbs.univ-paris-diderot.fr/ammosHome.php/ | 2017 |
| PPI3D | Template-based modeling and search for homologous protein complexes | http://bioinformatics.lt/software/ppi3d/ | 2017 |
| SEABED | Receptor preparation, library editing, flexible ensemble docking, hybrid docking and QSAR | http://www.bsc.es/SEABED/ | 2015 |
| MTiOpenScreen | Small molecule docking for user-defined binding site or blind docking | http://bioserv.rpbs.univ-paris-diderot.fr/services/MTiOpenScreen/ | 2015 |