Publications

2024

Molecular basis of Gabija anti-phage supramolecular assemblies

XY Yang, Z Shen, J Xie, J Greenwald, I Marathe, Q Lin, WJ Xie, VH Wysocki, TM Fu

Nature Structural Molecular Biology  ·  20 Mar 2024

Exploring the light-emitting agents in Renilla luciferases by an effective QM/MM approach

A Nandi, A Zhang, ZT Chu, WJ Xie, Z Xu, S Dong, A Warshel

Journal of the American Chemical Society  ·  20 Mar 2024

2023

Harnessing generative AI to decode enzyme catalysis and evolution for enhanced engineering

WJ Xie*, A Warshel*

National Science Review  ·  28 Dec 2023

Enhancing luciferase activity and stability through generative modeling of natural enzyme sequences

WJ Xie*, D Liu, X Wang, A Zhang, Q Wei, A Nandi, S Dong*, A Warshel*

Proceedings of the National Academy of Sciences USA  ·  20 Nov 2023

Selected publications on enzyme before joining UF (27 publications in total)

Exploring the role of chemical reactions in the selectivity of tyrosine kinase inhibitors

M Asadi, WJ Xie*, A Warshel*

Journal of the American Chemical Society  ·  31 Aug 2022

Natural evolution provides strong hints about laboratory evolution of designer enzymes

WJ Xie*, A Warshel*

Proceedings of the National Academy of Sciences USA  ·  28 Jul 2022

Enhancing computational enzyme design by a maximum entropy approach

WJ Xie*, M Asadi, A Warshel*

Proceedings of the National Academy of Sciences USA  ·  08 Feb 2022