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Motivation: Enzymes with unrelated folds can share identical catalytic mechanisms through convergent evolution, yet aligning known catalytic sites across non-homologous proteins remains challenging. General-purpose structural aligners optimize global backbone similarity and sacrifice local catalytic geometry, while ded...
Motivation: Convergent evolution produces enzymes with different folds but identical catalytic mechanisms, yet no method reliably detects shared catalytic sites across non-homologous proteins. Dedicated catalytic site tools achieve recall below 4%, and general-purpose aligners sacrifice local catalytic geometry for glo...
Motivation: Convergent evolution produces enzymes with different folds but identical catalytic mechanisms, yet no method reliably detects shared catalytic sites across non-homologous proteins. Dedicated catalytic site tools achieve recall below 4%, and general-purpose aligners sacrifice local catalytic geometry for glo...
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