PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
The last few years have seen the development of numerous deep learning-based protein-ligand docking methods. They offer huge promise in terms of speed and accuracy. However, despite claims of state-of-the-art performance in terms of crystallographic root-mean-square deviation (RMSD), upon closer ins...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
Royal Society of Chemistry
2023
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