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Mutexa: A Computational Ecosystem for Intelligent Protein Engineering.
J Chem Theory Comput. 2023 Nov 14;19(21):7459-7477. doi: 10.1021/acs.jctc.3c00602. Epub 2023 Oct 12.
J Chem Theory Comput. 2023.
PMID: 37828731
Free PMC article.
Review.
Convergence in determining enzyme functional descriptors across Kemp eliminase variants.
Jiang Y, Stull SL, Shao Q, Yang ZJ.
Jiang Y, et al. Among authors: stull sl.
Electron Struct. 2022 Dec;4(4):044007. doi: 10.1088/2516-1075/acad51. Epub 2022 Dec 30.
Electron Struct. 2022.
PMID: 37425623
Free PMC article.
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Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis.
Jiang Y, Ding N, Shao Q, Stull SL, Cheng Z, Yang ZJ.
Jiang Y, et al. Among authors: stull sl.
J Phys Chem Lett. 2023 Dec 21;14(50):11480-11489. doi: 10.1021/acs.jpclett.3c02444. Epub 2023 Dec 12.
J Phys Chem Lett. 2023.
PMID: 38085952
Free PMC article.
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