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Additional file 1 of Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening

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https://figshare.com/articles/dataset/Additional_file_1_of_Decomposing_compounds_enables_reconstruction_of_interaction_fingerprints_for_structure-based_drug_screening/19367269
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Additional file 1. Fragment-target binding mode conservation: The file shows for each fragment-target pair thefragment’s InChiKey, the target’s UniProt ID, the minimum TIS, the maximum TIS, and the mean TIS observed in allavailable complexes
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2022-03-15
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