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Outliers in SAR and QSAR: 3. Importance of considering the role of water molecules in protein–ligand interactions and quantitative structure–activity relationship studies

Exploring ligand dynamics in protein crystal structures with ensemble refinement

Tetranuclear copper(ii) cubane complexes derived from self-assembled 1,3-dimethyl-5-(o-phenolate-azo)-6-aminouracil: structures, non-covalent interactions and magnetic property

Turnover and Inactivation Mechanisms for (S)-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.

Marriage of high throughput synthesis and high throughput protein crystallography.

Structural investigation of the catalytic activity of Fe(III) and Mn(III) Schiff base complexes

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Ligand Crystal リガンド結晶
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