Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico
Kemp eliminases are artificial enzymes that catalyze the concerted deprotonation and ring-opening of benzisoxazoles. Here, the authors use room-temperature X-ray crystallography to investigate changes to the conformational ensemble of the Kemp eliminase HG3 along a directed evolutionary trajectory,...
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Autores principales: | Aron Broom, Rojo V. Rakotoharisoa, Michael C. Thompson, Niayesh Zarifi, Erin Nguyen, Nurzhan Mukhametzhanov, Lin Liu, James S. Fraser, Roberto A. Chica |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2020
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Materias: | |
Acceso en línea: | https://doaj.org/article/7439f4de0efc41d198a2176b909a8ff0 |
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