Journal of the American Chemical Society

Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the S<sub>N</sub>2 Step

N Natalia Gelfand (Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States) V Vojtech Orel (Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic) W Wenqiang Cui (Department of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States) J Jiří Damborský (Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic) C Chenglong Li (Department of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States) Z Zbyněk Prokop (Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic) W Wen Jun Xie (Department of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States) A Arieh Warshel (Department of Chemistry)
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Article Details

Volume / Issue Vol. 147, Issue 3
Published January 22, 2025
Pages 2747-2755
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society
ISSN: 0002-7863 Physical Sciences

Authors (8)

N

Natalia Gelfand

Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States

V

Vojtech Orel

Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic

W

Wenqiang Cui

Department of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States

J

Jiří Damborský

Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic

C

Chenglong Li

Department of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States

Z

Zbyněk Prokop

Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic

W

Wen Jun Xie

Department of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States

A

Arieh Warshel

Department of Chemistry

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