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docking/PanDDA/README.md

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<B>PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
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Fearon, D., Powell, A.J., Douangamath, A., Owen, C.D., Wild, C., Krojer, T., Lukacik, P., Strain-Damerell, C.M., Walsh, M.A., von Delft, F.</B>
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* Links:
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https://www.rcsb.org/structure/5R7Y
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https://www.rcsb.org/structure/5R7Z
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* related Swissmodel: https://swissmodel.expasy.org/templates/5r80
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* related PDB: 5R82,6Y84,5R7Y,6Y2E,5R83,5R7Z,6Y2F,5R81,5R84,6M03,5R80,6Y2G,6LU7
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* DSI-POISED Fragment library (SMILES) [[LINK]](https://www.diamond.ac.uk/Instruments/Mx/Fragment-Screening/Fragment-Libraries/DSI-poised-library.html)

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