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Yongjun Liu - Publications

Affiliations: 
Shandong University, Jinan Shi, Shandong Sheng, China 
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34 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Dong L, Liu Y. Exploring the Substrate-Assisted Dehydration of Chorismate Catalyzed by Dehydratase MqnA from QM/MM Calculations: The Role of Pocket Residues and the Hydrolysis Mechanism of N17D Mutant. Journal of Chemical Information and Modeling. PMID 37970731 DOI: 10.1021/acs.jcim.3c01074  0.371
2023 Dong L, Liu Y. Catalytic Mechanism of Pyridoxal 5'-Phosphate-Dependent Aminodeoxychorismate Lyase: A Computational QM/MM Study. Journal of Chemical Information and Modeling. PMID 36745546 DOI: 10.1021/acs.jcim.2c01593  0.373
2022 Zhang S, Li X, Wang Y, Wei J, Zhang X, Liu Y. Computational Study of the Peroxygenase Mechanism Catalyzed by Hemoglobin Dehaloperoxidase Involved in the Degradation of Chlorophenols. Inorganic Chemistry. 61: 2628-2639. PMID 35080380 DOI: 10.1021/acs.inorgchem.1c03721  0.343
2020 Zhang S, Liu Y. Mechanical Insights into the Enzymatic Cleavage of Double C-C Bond in Poly(-1,4-isoprene) by the Latex Clearing Protein. Inorganic Chemistry. PMID 32644783 DOI: 10.1021/acs.inorgchem.0c00726  0.303
2020 Yan L, Liu Y. Retaining mechanism of xylose transfer catalyzed by the xyloside α-1,3-xylosyltransferase (XXYLT1): A QM/MM study. Journal of Chemical Information and Modeling. PMID 32105482 DOI: 10.1021/acs.jcim.9b00976  0.314
2019 Li H, Zhu W, Liu Y. Mechanism of Uncoupled Carbocyclization and Epimerization Catalyzed by Two Non-heme Iron/α-ketoglutarate Dependent Enzymes. Journal of Chemical Information and Modeling. PMID 31790238 DOI: 10.1021/acs.jcim.9b00837  0.333
2019 Yan L, Liu Y. Insights into the Mechanism and Enantioselectivity in the Biosynthesis of Ergot Alkaloid Cycloclavine Catalyzed by Aj_EasH from . Inorganic Chemistry. PMID 31560525 DOI: 10.1021/acs.inorgchem.9b01168  0.323
2019 Ling B, Li H, Yan L, Liu R, Liu Y. Conversion mechanism of enoyl thioesters into acyl thioesters catalyzed by 2-enoyl-thioester reductases from Candida Tropicalis. Physical Chemistry Chemical Physics : Pccp. PMID 31062768 DOI: 10.1039/c9cp00987f  0.368
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  0.621
2018 Su H, Ma G, Liu Y. Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome P450 Enzymes. Inorganic Chemistry. PMID 30156099 DOI: 10.1021/acs.inorgchem.8b01875  0.303
2017 Dong L, Zhang S, Liu Y. A water-assisted nucleophilic mechanism utilized by BphD, the meta-cleavage product hydrolase in biphenyl degradation. Journal of Molecular Graphics & Modelling. 76: 448-455. PMID 28783597 DOI: 10.1016/j.jmgm.2017.07.016  0.36
2017 Tian G, Liu Y. Mechanistic insights into the catalytic reaction of ferulic acid decarboxylase from Aspergillus niger: a QM/MM study. Physical Chemistry Chemical Physics : Pccp. PMID 28262890 DOI: 10.1039/c6cp08811b  0.341
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  0.638
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  0.629
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  0.67
2016 Zhang S, Su H, Ma G, Liu Y. Quantum mechanics and molecular mechanics study of the reaction mechanism of quorum quenching enzyme: N-acyl homoserine lactonase with C6-HSL Rsc Advances. 6: 23396-23402. DOI: 10.1039/C6Ra00328A  0.344
2015 Zhu W, Liu Y, Ling B. A QM/MM study of the catalytic mechanism of human AMSH-LP domain deubiquitinating enzymes (DUBs). Biochemistry. PMID 26256234 DOI: 10.1021/acs.biochem.5b00527  0.365
2015 Zhang S, Ma G, Liu Y, Ling B. Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI. Journal of Molecular Graphics & Modelling. 61: 21-9. PMID 26188792 DOI: 10.1016/j.jmgm.2015.06.011  0.381
2014 Zhu W, Liu Y, Zhang R. A QM/MM study of the reaction mechanism of (R)-hydroxynitrile lyases from Arabidopsis thaliana (AtHNL). Proteins. 83: 66-77. PMID 25052541 DOI: 10.1002/prot.24648  0.331
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  0.658
2014 Zhang J, Liu Y. A QM/MM study of the catalytic mechanism of aspartate ammonia lyase. Journal of Molecular Graphics & Modelling. 51: 113-9. PMID 24875395 DOI: 10.1016/j.jmgm.2014.05.003  0.336
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  0.684
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  0.665
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  0.636
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  0.665
2013 Wang K, Hou Q, Liu Y. Insight into the mechanism of aminomutase reaction: a case study of phenylalanine aminomutase by computational approach. Journal of Molecular Graphics & Modelling. 46: 65-73. PMID 24149320 DOI: 10.1016/j.jmgm.2013.09.010  0.372
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  0.663
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  0.637
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  0.632
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  0.586
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  0.644
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  0.583
2011 Wang J, Hou Q, Dong L, Liu Y, Liu C. QM/MM studies on the glycosylation mechanism of rice BGlu1 β-glucosidase. Journal of Molecular Graphics & Modelling. 30: 148-52. PMID 21802967 DOI: 10.1016/j.jmgm.2011.06.012  0.317
2010 Li B, Sheng X, Xing W, Dong G, Liu Y, Zhang C, Chen X, Zhou N, Qin Z. Molecular Dynamic Simulation on the Absorbing Process of Isolating and Coating of α-olefin Drag Reducing Polymer Chinese Journal of Chemical Physics. 23: 630-636. DOI: 10.1088/1674-0068/23/06/630-636  0.56
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