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Figure 7
(a) The matched molecular pairs corresponding to these spheres indicates a series of low-molecular-weight molecules with large activity changes from very minor molecular transformations (e.g. adding a methyl group increases activity by over one log unit). (b) The three-dimensional conformations of these compounds (rainbow sticks) project into a hydrophobic pocket (tryptophan, TRP; tyrosine, TYR; phenylalanine, PHE), rationalizing the favourability of hydrophobic substituents. The protein is shown as white sticks in (b).

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 73| Part 3| March 2017| Pages 279-285
https://doi.org/10.1107/S2059798316009529
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