| Year |
Citation |
Score |
| 2024 |
Zhang S, Zhang C, Guo A, Liu B, Su H, Sheng X. Computational mechanistic investigation of the kinetic resolution of α-methyl-phenylacetaldehyde by norcoclaurine synthase. Communications Chemistry. 7: 64. PMID 38538750 DOI: 10.1038/s42004-024-01146-x |
0.442 |
|
| 2024 |
Han X, Chen F, Li H, Ge R, Shen Q, Duan P, Sheng X, Zhang W. Reaction engineering blocks ether cleavage for synthesizing chiral cyclic hemiacetals catalyzed by unspecific peroxygenase. Nature Communications. 15: 1235. PMID 38336996 DOI: 10.1038/s41467-024-45545-z |
0.35 |
|
| 2024 |
Sheng X, Kroutil W, Himo F. Computational Study of the Fries Rearrangement Catalyzed by Acyltransferase from Pseudomonas protegens. Chemistryopen. e202300256. PMID 38224208 DOI: 10.1002/open.202300256 |
0.694 |
|
| 2023 |
Yang Y, Liu Y, Zhao H, Liu D, Zhang J, Cheng J, Yang Q, Chu H, Lu X, Luo M, Sheng X, Zhang YPJ, Jiang H, Ma Y. Construction of an artificial phosphoketolase pathway that efficiently catabolizes multiple carbon sources to acetyl-CoA. Plos Biology. 21: e3002285. PMID 37733785 DOI: 10.1371/journal.pbio.3002285 |
0.322 |
|
| 2023 |
Mou M, Zhang C, Zhang S, Chen F, Su H, Sheng X. Uncovering the Mechanism of Azepino-Indole Skeleton Formation via Pictet-Spengler Reaction by Strictosidine Synthase: A Quantum Chemical Investigation. Chemistryopen. 12: e202300043. PMID 37248801 DOI: 10.1002/open.202300043 |
0.503 |
|
| 2023 |
Sheng X, Himo F. The Quantum Chemical Cluster Approach in Biocatalysis. Accounts of Chemical Research. PMID 36976880 DOI: 10.1021/acs.accounts.2c00795 |
0.647 |
|
| 2021 |
Prejanò M, Sheng X, Himo F. Computational Study of Mechanism and Enantioselectivity of Imine Reductase from Amycolatopsis orientalis. Chemistryopen. PMID 34825518 DOI: 10.1002/open.202100250 |
0.678 |
|
| 2021 |
Sheng X, Himo F. Mechanisms of metal-dependent non-redox decarboxylases from quantum chemical calculations. Computational and Structural Biotechnology Journal. 19: 3176-3186. PMID 34141138 DOI: 10.1016/j.csbj.2021.05.044 |
0.642 |
|
| 2020 |
Hofer G, Sheng X, Braeuer S, Payer SE, Plasch K, Goessler W, Faber K, Keller W, Himo F, Glueck SM. Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae. Chembiochem : a European Journal of Chemical Biology. PMID 33090643 DOI: 10.1002/cbic.202000600 |
0.618 |
|
| 2020 |
Sheng X, Himo F. Mechanism of 3-Methylglutaconyl CoA Decarboxylase AibA/AibB: Pericyclic Reaction vs. Direct Decarboxylation. Angewandte Chemie (International Ed. in English). PMID 32914510 DOI: 10.1002/Anie.202008919 |
0.691 |
|
| 2020 |
Sheng X, Kazemi M, Żądło-Dobrowolska A, Kroutil W, Himo F. Mechanism of Biocatalytic Friedel-Crafts Acylation by Acyltransferase from . Acs Catalysis. 10: 570-577. PMID 31929947 DOI: 10.1021/Acscatal.9B04208 |
0.694 |
|
| 2020 |
Sheng X, Himo F. Computational Study of Pictet–Spenglerase Strictosidine Synthase: Reaction Mechanism and Origins of Enantioselectivity of Natural and Non-Natural Substrates Acs Catalysis. 10: 13630-13640. DOI: 10.1021/acscatal.0c03758 |
0.403 |
|
| 2020 |
Xu Z, Yao P, Sheng X, Li J, Li J, Yu S, Feng J, Wu Q, Zhu D. Biocatalytic Access to 1,4-Diazepanes via Imine Reductase-Catalyzed Intramolecular Asymmetric Reductive Amination Acs Catalysis. 10: 8780-8787. DOI: 10.1021/acscatal.0c02400 |
0.311 |
|
| 2020 |
Sheng X, Kazemi M, Planas F, Himo F. Modeling Enzymatic Enantioselectivity using Quantum Chemical Methodology Acs Catalysis. 10: 6430-6449. DOI: 10.1021/Acscatal.0C00983 |
0.556 |
|
| 2019 |
Kazemi M, Sheng X, Himo F. Origins of Enantiopreference of Mycobacterium smegmatis Acyl Transferase: A Computational Analysis. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31294500 DOI: 10.1002/Chem.201902351 |
0.64 |
|
| 2019 |
Sheng X, Himo F. Enzymatic Pictet-Spengler Reaction: Computational Study of the Mechanism and Enantioselectivity of Norcoclaurine Synthase. Journal of the American Chemical Society. PMID 31265268 DOI: 10.1021/Jacs.9B04591 |
0.715 |
|
| 2019 |
Hofer G, Payer SE, Plasch K, Baerland N, Marschall SA, Sheng X, Vonck J, Gruber K, Himo F, Leys D, Faber K, Keller W, Glueck SM, Pavkov-Keller T. Regioselective carboxylation by prenylated flavin and Mn-dependent decarboxylases Acta Crystallographica Section A. 75. DOI: 10.1107/S2053273319094373 |
0.508 |
|
| 2019 |
Sheng X, Hou Q, Liu Y. Computational evidence for the importance of lysine carboxylation in the reaction catalyzed by carboxyl transferase domain of pyruvate carboxylase: a QM/MM study Theoretical Chemistry Accounts. 138. DOI: 10.1007/s00214-018-2408-8 |
0.479 |
|
| 2018 |
Sheng X, Plasch K, Payer SE, Ertl C, Hofer G, Keller W, Braeuer S, Goessler W, Glueck SM, Himo F, Faber K. Reaction Mechanism and Substrate Specificity of -orotate Decarboxylase: A Combined Theoretical and Experimental Study. Frontiers in Chemistry. 6: 608. PMID 30619817 DOI: 10.3389/Fchem.2018.00608 |
0.7 |
|
| 2018 |
Planas F, Sheng X, McLeish MJ, Himo F. A Theoretical Study of the Benzoylformate Decarboxylase Reaction Mechanism. Frontiers in Chemistry. 6: 205. PMID 29998094 DOI: 10.3389/Fchem.2018.00205 |
0.674 |
|
| 2018 |
Kazemi M, Sheng X, Kroutil W, Himo F. Computational Study ofMycobacterium smegmatisAcyl Transferase Reaction Mechanism and Specificity Acs Catalysis. 8: 10698-10706. DOI: 10.1021/Acscatal.8B03360 |
0.7 |
|
| 2017 |
Sheng X, Patskovsky Y, Vladimirova A, Bonanno JB, Almo SC, Himo F, Raushel FM. Mechanism and Structure of γ-Resorcylate Decarboxylase. Biochemistry. PMID 29283551 DOI: 10.1021/Acs.Biochem.7B01213 |
0.673 |
|
| 2017 |
Payer S, Marshall SA, Bärland N, Sheng X, Reiter T, Dordic A, Steinkellner G, Wuensch C, Kaltwasser S, Fisher K, Rigby SEJ, Macheroux P, Vonck J, Gruber K, Faber K, et al. Regioselective para-Carboxylation of Catechols by a Prenylated Flavin Dependent Decarboxylase. Angewandte Chemie (International Ed. in English). PMID 28857436 DOI: 10.1002/Anie.201708091 |
0.667 |
|
| 2017 |
Payer SE, Sheng X, Pollak H, Wuensch C, Steinkellner G, Himo F, Glueck SM, Faber K. Exploring the Catalytic Promiscuity of Phenolic Acid Decarboxylases: Asymmetric, 1,6-Conjugate Addition of Nucleophiles Across 4-Hydroxystyrene. Advanced Synthesis & Catalysis. 359: 2066-2075. PMID 28713228 DOI: 10.1002/Adsc.201700247 |
0.612 |
|
| 2017 |
Su H, Sheng X, Zhu W, Ma G, Liu Y. Mechanistic Insights into the Decoupled Desaturation and Epoxidation Catalyzed by Dioxygenase AsqJ Involved in the Biosynthesis of Quinolone Alkaloids Acs Catalysis. 7: 5534-5543. DOI: 10.1021/ACSCATAL.7B01606 |
0.533 |
|
| 2017 |
Sheng X, Zhu W, Huddleston J, Xiang DF, Raushel FM, Richards NGJ, Himo F. A Combined Experimental-Theoretical Study of the LigW-Catalyzed Decarboxylation of 5-Carboxyvanillate in the Metabolic Pathway for Lignin Degradation Acs Catalysis. 7: 4968-4974. DOI: 10.1021/Acscatal.7B01166 |
0.58 |
|
| 2017 |
Sheng X, Himo F. Theoretical Study of Enzyme Promiscuity: Mechanisms of Hydration and Carboxylation Activities of Phenolic Acid Decarboxylase Acs Catalysis. 7: 1733-1741. DOI: 10.1021/Acscatal.6B03249 |
0.678 |
|
| 2016 |
Su H, Sheng X, Liu Y. Exploring the substrate specificity and catalytic mechanism of imidazolonepropionase (HutI) from Bacillus subtilis. Physical Chemistry Chemical Physics : Pccp. PMID 27711543 DOI: 10.1039/c6cp04918d |
0.479 |
|
| 2016 |
Su H, Sheng X, Liu Y. Insights into the catalytic mechanism of N-acetylglucosaminidase glycoside hydrolase from Bacillus subtilis: a QM/MM study. Organic & Biomolecular Chemistry. PMID 26963691 DOI: 10.1039/c6ob00320f |
0.617 |
|
| 2015 |
Sheng X, Lind ME, Himo F. Theoretical study of the reaction mechanism of phenolic acid decarboxylase. The Febs Journal. 282: 4703-13. PMID 26408050 DOI: 10.1111/Febs.13525 |
0.709 |
|
| 2014 |
Sheng X, Liu Y. QM/MM study of the reaction mechanism of the carboxyl transferase domain of pyruvate carboxylase from staphylococcus aureus Biochemistry. 53: 4455-4466. PMID 24963911 DOI: 10.1021/bi500020r |
0.546 |
|
| 2014 |
Hou Q, Sheng X, Liu Y. QM/MM studies of the mechanism of unusual bifunctional fructose-1,6-bisphosphate aldolase/phosphatase. Physical Chemistry Chemical Physics : Pccp. 16: 11366-73. PMID 24798757 DOI: 10.1039/c3cp55263b |
0.644 |
|
| 2014 |
Sheng X, Liu Y. A QM/MM study of the catalytic mechanism of nicotinamidase Organic and Biomolecular Chemistry. 12: 1265-1277. PMID 24413890 DOI: 10.1039/c3ob42182a |
0.583 |
|
| 2014 |
Sheng X, Liu Y, Zhang R. A theoretical study of the catalytic mechanism of oxalyl-CoA decarboxylase, an enzyme for treating urolithiasis Rsc Advances. 4: 35777. DOI: 10.1039/C4RA03611E |
0.544 |
|
| 2013 |
Sheng X, Liu Y. Theoretical study of the catalytic mechanism of E1 subunit of pyruvate dehydrogenase multienzyme complex from bacillus stearothermophilus Biochemistry. 52: 8079-8093. PMID 24171427 DOI: 10.1021/bi400577f |
0.57 |
|
| 2013 |
Sheng X, Gao J, Liu Y, Liu C. Theoretical study on the proton shuttle mechanism of saccharopine dehydrogenase. Journal of Molecular Graphics & Modelling. 44: 17-25. PMID 23732302 DOI: 10.1016/j.jmgm.2013.04.009 |
0.579 |
|
| 2013 |
Hou Q, Hu X, Sheng X, Liu Y, Liu C. Theoretical study on the degradation of ADP-ribose polymer catalyzed by poly(ADP-ribose) glycohydrolase. Journal of Molecular Graphics & Modelling. 42: 26-31. PMID 23524370 DOI: 10.1016/j.jmgm.2013.02.010 |
0.52 |
|
| 2013 |
Sheng X, Liu Y, Liu C. Theoretical studies on the common catalytic mechanism of transketolase by using simplified models. Journal of Molecular Graphics & Modelling. 39: 23-8. PMID 23220278 DOI: 10.1016/j.jmgm.2012.11.001 |
0.478 |
|
| 2013 |
Zhang J, Sheng X, Hou Q, Liu Y. Theoretical investigation on the dissociation of (R)-benzoin catalyzed by benzaldehyde lyase International Journal of Quantum Chemistry. 114: 375-382. DOI: 10.1002/QUA.24573 |
0.369 |
|
| 2012 |
Su J, Sheng X, Li S, Sun T, Liu G, Hao A. Effective regioselective protection of amino groups of lysine achieved by a supramolecular enzyme-mimic approach. Organic & Biomolecular Chemistry. 10: 9319-24. PMID 23129023 DOI: 10.1039/C2Ob27021H |
0.33 |
|
| 2012 |
Wang J, Sheng X, Zhao Y, Liu Y, Liu C. QM/MM investigation on the catalytic mechanism of Bacteroides thetaiotaomicron α-glucosidase BtGH97a. Biochimica Et Biophysica Acta. 1824: 750-8. PMID 22465571 DOI: 10.1016/j.bbapap.2012.03.005 |
0.509 |
|
| 2012 |
Wang J, Hou Q, Sheng X, Gao J, Liu Y, Liu C. Theoretical study on the deglycosylation mechanism of rice BGlu1 β-glucosidase International Journal of Quantum Chemistry. 113: 1071-1075. DOI: 10.1002/QUA.24131 |
0.345 |
|
| 2011 |
Hou QQ, Sheng X, Wang JH, Liu YJ, Liu CB. QM/MM study of the mechanism of enzymatic limonene 1,2-epoxide hydrolysis. Biochimica Et Biophysica Acta. 1824: 263-8. PMID 21925621 DOI: 10.1016/j.bbapap.2011.08.014 |
0.403 |
|
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