| Regioselective para‐Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase SE Payer, SA Marshall, N Bärland, X Sheng, T Reiter, A Dordic, ... Angewandte Chemie International Edition 56 (44), 13893-13897, 2017 | 77 | 2017 |
| Modeling enzymatic enantioselectivity using quantum chemical methodology X Sheng, M Kazemi, F Planas, F Himo ACS Catalysis 10 (11), 6430-6449, 2020 | 72 | 2020 |
| Theoretical study of the reaction mechanism of phenolic acid decarboxylase X Sheng, MES Lind, F Himo The FEBS Journal 282 (24), 4703-4713, 2015 | 61 | 2015 |
| Enzymatic Pictet–Spengler reaction: computational study of the mechanism and enantioselectivity of norcoclaurine synthase X Sheng, F Himo Journal of the American Chemical Society 141 (28), 11230-11238, 2019 | 60 | 2019 |
| Self-aggregation of new alkylcarboxylate-based anionic surface active ionic liquids: experimental and theoretical investigations N Cheng, P Yu, T Wang, X Sheng, Y Bi, Y Gong, L Yu The Journal of Physical Chemistry B 118 (10), 2758-2768, 2014 | 59 | 2014 |
| Mechanistic insights into the decoupled desaturation and epoxidation catalyzed by dioxygenase AsqJ involved in the biosynthesis of quinolone alkaloids H Su, X Sheng, W Zhu, G Ma, Y Liu Acs Catalysis 7 (8), 5534-5543, 2017 | 48 | 2017 |
| Theoretical study of enzyme promiscuity: mechanisms of hydration and carboxylation activities of phenolic acid decarboxylase X Sheng, F Himo ACS Catalysis 7 (3), 1733-1741, 2017 | 43 | 2017 |
| Biocatalytic access to 1, 4-diazepanes via imine reductase-catalyzed intramolecular asymmetric reductive amination Z Xu, P Yao, X Sheng, J Li, J Li, S Yu, J Feng, Q Wu, D Zhu ACS Catalysis 10 (15), 8780-8787, 2020 | 42 | 2020 |
| Aggregation behavior of anionic surface active ionic liquids with double hydrocarbon chains in aqueous solution: Experimental and theoretical investigations N Cheng, X Ma, X Sheng, T Wang, R Wang, J Jiao, L Yu Colloids and Surfaces A: Physicochemical and Engineering Aspects 453, 53-61, 2014 | 42 | 2014 |
| Computational Study of Mycobacterium smegmatis Acyl Transferase Reaction Mechanism and Specificity M Kazemi, X Sheng, W Kroutil, F Himo ACS Catalysis 8 (11), 10698-10706, 2018 | 41 | 2018 |
| A combined experimental-theoretical study of the LigW-catalyzed decarboxylation of 5-carboxyvanillate in the metabolic pathway for lignin degradation X Sheng, W Zhu, J Huddleston, DF Xiang, FM Raushel, NGJ Richards, ... ACS Catalysis 7 (8), 4968-4974, 2017 | 37 | 2017 |
| Mechanism and structure of γ-resorcylate decarboxylase X Sheng, Y Patskovsky, A Vladimirova, JB Bonanno, SC Almo, F Himo, ... Biochemistry 57 (22), 3167-3175, 2017 | 30 | 2017 |
| Mechanism of Biocatalytic Friedel–Crafts Acylation by Acyltransferase from Pseudomonas protegens X Sheng, M Kazemi, A Żądło-Dobrowolska, W Kroutil, F Himo ACS catalysis 10 (1), 570-577, 2019 | 24 | 2019 |
| The quantum chemical cluster approach in biocatalysis X Sheng, F Himo Accounts of Chemical Research 56 (8), 938-947, 2023 | 23 | 2023 |
| Computational study of pictet–spenglerase strictosidine synthase: reaction mechanism and origins of enantioselectivity of natural and non-natural substrates X Sheng, F Himo ACS Catalysis 10 (22), 13630-13640, 2020 | 22 | 2020 |
| Reaction Mechanism and Substrate Specificity of Iso-orotate Decarboxylase: A Combined Theoretical and Experimental Study X Sheng, K Plasch, SE Payer, C Ertl, G Hofer, W Keller, S Braeuer, ... Frontiers in Chemistry 6, 608, 2018 | 21 | 2018 |
| A theoretical study of the benzoylformate decarboxylase reaction mechanism F Planas, X Sheng, MJ McLeish, F Himo Frontiers in Chemistry 6, 205, 2018 | 20 | 2018 |
| Exploring the Catalytic Promiscuity of Phenolic Acid Decarboxylases: Asymmetric, 1, 6‐Conjugate Addition of Nucleophiles Across 4‐Hydroxystyrene SE Payer, X Sheng, H Pollak, C Wuensch, G Steinkellner, F Himo, ... Advanced Synthesis & Catalysis 359 (12), 2066-2075, 2017 | 19 | 2017 |
| Origins of Enantiopreference of Mycobacterium smegmatis Acyl Transferase: A Computational Analysis M Kazemi, X Sheng, F Himo Chemistry–A European Journal 25 (51), 11945-11954, 2019 | 18 | 2019 |
| Effective regioselective protection of amino groups of lysine achieved by a supramolecular enzyme-mimic approach J Su, X Sheng, S Li, T Sun, G Liu, A Hao Organic & Biomolecular Chemistry 10 (47), 9319-9324, 2012 | 17 | 2012 |
