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We performed a large scale analysis of the Protein DataBank and systematically characterized the binding mode of fragments and drug-like ligands.

Explore drug-like ligand and fragment binding modes over 235 proteins to answer these questions:

• Does a fragment always bind a protein pocket in a similar way ?
• Is the binding mode between a fragment and its drug-like superstructure conserved ?
• Are interaction patterns of fragment and drug-like ligand complexes similar ?

General conclusions are given in the article:
Drwal, M. N.; Bret, G.; Perez, C.; Jacquemard, C.; Desaphy, J.; Kellenberger, E. Structural insights on fragment binding mode conservation Journal Year.

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This work was supported by the University of Strasbourg, the LabEx Medalis and Eli Lilly and Company through the Lilly Research Award Program (LRAP).