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SCORPIO (Structure/Calorimetry of Reported Interactions Online) (29) is very similar in concept to the PDBcal database, although slightly more limited in scope with around 30 different proteins and more than 250 distinct protein–small molecule complexes. The small molecules comprise both natural ligands and synthetic compounds. As observed in the PDBcal database, only a small percentage of entries (15%) include measurements of the binding heat capacity. As the authors state, this shortfall is understandable given the extra effort required for such measurements, but regrettable because this parameter is strongly correlated to the extent and nature of binding interfaces and is thus a rich source of information. It can only be encouraged that future experimenters consider performing such measure- ments wherever possible. The authors have presented an extensive statistical analysis of the curated structure–ITC data. 前辈帮忙，谢谢！ |
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