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Protein-ligand docking programs are indispensable tools for predicting the binding pose of a ligand to the receptor protein. Based on the implementation of AutoDock Vina, GWOVina employs grey wolf optimization (GWO) algorithm to speed up the search for optimal ligand poses. Our rigid docking experiments show that GWOVina has enhanced exploration capability leading to significant speedup in the search while maintaining comparable binding pose prediction accuracy to AutoDock Vina. For flexible receptor docking, GWOVina is also competitive in pose ranking. Its success rate is higher than AutoDock Vina, but similar to AutoDockFR.
https://cbbio.online/software/gwovina/index.html
Features
- Suitable for rigid docking and flexible receptor docking
- Much faster than AutoDock Vina with better accuracy
- Much faster than AutoDockFR with similar accuracy
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