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Reproducing Bioactive Conformations Using Different Duplicate Removal Values

2 Reproducing Bioactive Conformations Using Different Duplicate Removal Values [Pg.194]

Confort s [14] refinement procedure. Previous studies show that these functions do not increase the likelihood of retrieving the bioactive conformation on the contrary, they have a negative impact [35], [Pg.195]

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Bioactive conformation

Conformational difference

Duplicate removal

Duplication

Reproducibility

Reproducible

Values duplicating

Values reproducible

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