Full list of the publications:https://orcid.org/0000-0002-6542-6649。
1. Na Liu, Lian Wu, Jinhui Feng, Xiang Sheng*, Jian Li, Xi Chen, Jianjiong Li, Weidong Liu, Jiahai Zhou*, Qiaqing Wu*, and Dunming Zhu*
Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of β-Amino Acids
Angew. Chem. Int. Ed. 2021, 60, 10203–10210.
2. Gerhard Hofer&, Xiang Sheng&, Simone Braeuer, Stefan E. Payer, Katharina Plasch, Walter Goessler, Kurt Faber, Walter Keller, Fahmi Himo* and Silvia. M. Glueck* (& contribute equally)
Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae
ChemBioChem 2021, 22, 652–656.
3. Xiang Sheng* and Fahmi Himo*
Mechanisms of metal-dependent non-redox decarboxylases from quantum chemical calculations
Comput. Struct. Biotechnol. J. 2021, 19, 3176–3186.

4. Xiang Sheng* and Fahmi Himo*
Mechanism of 3-Methylglutaconyl CoA Decarboxylase AibA/AibB: Pericyclic Reaction vs. Direct Decarboxylation
Angew. Chem. Int. Ed. 2020, 59, 22973–22977.
5. Xiang Sheng and Fahmi Himo*
Computational Study of Pictet–Spenglerase Strictosidine Synthase: Reaction Mechanism and Origins of Enantioselectivity of Natural and Non-Natural Substrates
ACS Catal. 2020, 10, 13630–13640.
6. Xiang Sheng, Masoud Kazemi, Ferran Planas and Fahmi Himo*
Modeling Enzymatic Enantioselectivity using Quantum Chemical Methodology
ACS Catal. 2020, 10, 6430–6449.
7. Xiang Sheng, Masoud Kazemi, Anna Zadlo-Dobrowolska, Wolfgang Kroutil and Fahmi Himo*
Mechanism of Biocatalytic Friedel-Crafts Acylation by Acyltransferase from Pseudomonas protegen
ACS Catal. 2020, 10, 570–577.

8. Xiang Sheng and Fahmi Himo*
Enzymatic Pictet-Spengler Reaction: Computational Study of Mechanism and Enantioselectivity of Norcoclaurine Synthase
J. Am. Chem. Soc. 2019, 141, 11230–11238.

9. Xiang Sheng&, Wen Zhu&, Jamison Huddleston, Dao Fen Xiang, Frank M. Raushel*, Nigel G. J. Richards* and Fahmi Himo* (& contribute equally)
A Combined Experimental-Theoretical Study of the LigW-Catalyzed Decarboxylation of 5-Carboxyvanillate in the Metabolic Pathway for Lignin Degradation
ACS Catal. 2017, 7, 4968-4974.
10. Xiang Sheng and Fahmi Himo*
Theoretical Study of Enzyme Promiscuity: Mechanisms of Hydration and Carboxylation Activities of Phenolic Acid Decarboxylase
ACS Catal. 2017, 7, 1733-1741.
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