Yongjun Liu

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 50

Top Venues

Inorganic chemistry

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Proteins

Shandong University

Shandong University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Shandong University Oct 01 2004 - Jan 14 2016

China

Professor :: School of Chemistry and Chemical Engoneering

Education History

Shandong University Sep 01 1998 - Jun 30 2001

China

PHD :: School of Chemistry and Chemical Engineering

Publications

Xinyi Li, Yongjun Liu
Multiscale Study on the Intramolecular C-S Bond Formation Catalyzed by P450 Monooxygenase CxnD Involved in the Biosynthesis of Chuangxinmycin: The Critical Roles of Noncrystal Water Molecule and Conformational Change. Inorganic chemistry 63 (9) (2024)
Xinyi Li, Fa-Guang Zhang, Jun-An Ma, Yongjun Liu
Computational insights into the binding modes, keto-enol tautomerization and stereo-electronically controlled decarboxylation of oxaloacetate in the active site of macrophomate synthase. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Xianghui Zhang, Yongjun Liu
Computational Insights into the Catalysis of the pH Dependence of Bromite Decomposition Catalyzed by Chlorite Dismutase from Dechloromonas aromatica ( Da Cld). Inorganic chemistry 63 (15) (2024)
Xue Zhang, Qian Zhao, Yongjun Liu
Computational Insights into the Intramolecular Aromatic C-C Coupling Catalyzed by the Cytochrome P450 Enzyme CYP121 from Mycobacterium tuberculosis . Inorganic chemistry 63 (28) (2024)
Xinyi Li, Fa-Guang Zhang, Jun-An Ma, Yongjun Liu
Computational insights into the binding modes, keto-enol tautomerization and stereo-electronically controlled decarboxylation of oxaloacetate in the active site of macrophomate synthase. Physical chemistry chemical physics : PCCP (2024)
Shuo-Han Li, Xue Zhang, Ze-Long Mei, Yongjun Liu, Jun-An Ma, Fa-Guang Zhang
Chemoenzymatic Synthesis of Fluorinated Mycocyclosin Enabled by the Engineered Cytochrome P450-Catalyzed Biaryl Coupling Reaction. Journal of the American Chemical Society 146 (29) (2024)
Xinyi Li, Fa-Guang Zhang, Jun-An Ma, Yongjun Liu
Computational insights into the binding modes, keto-enol tautomerization and stereo-electronically controlled decarboxylation of oxaloacetate in the active site of macrophomate synthase. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Xianghui Zhang, Yongjun Liu
Computational Insights into the Catalysis of the pH Dependence of Bromite Decomposition Catalyzed by Chlorite Dismutase from Dechloromonas aromatica ( Da Cld). Inorganic chemistry (2024)
Xinyi Li, Fa-Guang Zhang, Jun-An Ma, Yongjun Liu
Computational insights into the binding modes, keto-enol tautomerization and stereo-electronically controlled decarboxylation of oxaloacetate in the active site of macrophomate synthase. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Xinyi Li, Yongjun Liu
Multiscale Study on the Intramolecular C-S Bond Formation Catalyzed by P450 Monooxygenase CxnD Involved in the Biosynthesis of Chuangxinmycin: The Critical Roles of Noncrystal Water Molecule and Conformational Change. Inorganic chemistry (2024)
Xianghui Zhang, Yongjun Liu
Computational Insights into the Catalysis of the pH Dependence of Bromite Decomposition Catalyzed by Chlorite Dismutase from Dechloromonas aromatica ( Da Cld). Inorganic chemistry 63 (15) (2024)
Xinyi Li, Yongjun Liu
Multiscale Study on the Intramolecular C-S Bond Formation Catalyzed by P450 Monooxygenase CxnD Involved in the Biosynthesis of Chuangxinmycin: The Critical Roles of Noncrystal Water Molecule and Conformational Change. Inorganic chemistry 63 (9) (2024)
Shuo-Han Li, Xue Zhang, Ze-Long Mei, Yongjun Liu, Jun-An Ma, Fa-Guang Zhang
Chemoenzymatic Synthesis of Fluorinated Mycocyclosin Enabled by the Engineered Cytochrome P450-Catalyzed Biaryl Coupling Reaction. Journal of the American Chemical Society (2024)
Yue Wang, Yongjun Liu
Computational Insights into the Non-Heme Diiron Alkane Monooxygenase Enzyme AlkB: Electronic Structures, Dioxygen Activation, and Hydroxylation Mechanism of Liquid Alkanes. Inorganic chemistry (2024)
Xue Zhang, Qian Zhao, Yongjun Liu
Computational Insights into the Intramolecular Aromatic C-C Coupling Catalyzed by the Cytochrome P450 Enzyme CYP121 from Mycobacterium tuberculosis . Inorganic chemistry (2024)
Lihua Dong, Yongjun Liu
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 (2023)
Lihua Dong, Yongjun Liu
Catalytic Mechanism of Pyridoxal 5'-Phosphate-Dependent Aminodeoxychorismate Lyase: A Computational QM/MM Study. Journal of chemical information and modeling 63 (4) (2023)
Xue Zhang, Xinyi Li, Yijing Wang, Xianghui Zhang, Yongjun Liu
Computational Study of the Fe(II) and α-Ketoglutarate-Dependent Aryloxyalkanoate Dioxygenase (AAD-1) in the Degradation of the Herbicide 2,4-Dichlorophenoxyacetic Acid. Journal of chemical information and modeling 63 (9) (2023)
Lihua Dong, Yongjun Liu
Catalytic Mechanism of Pyridoxal 5'-Phosphate-Dependent Aminodeoxychorismate Lyase: A Computational QM/MM Study. Journal of chemical information and modeling (2023)
Xue Zhang, Xinyi Li, Yijing Wang, Xianghui Zhang, Yongjun Liu
Computational Study of the Fe(II) and α-Ketoglutarate-Dependent Aryloxyalkanoate Dioxygenase (AAD-1) in the Degradation of the Herbicide 2,4-Dichlorophenoxyacetic Acid. Journal of chemical information and modeling (2023)
Lihua Dong, Yongjun Liu
Catalytic Mechanism of Pyridoxal 5'-Phosphate-Dependent Aminodeoxychorismate Lyase: A Computational QM/MM Study. Journal of chemical information and modeling 63 (4) (2023)
Xianghui Zhang, Yongjun Liu
Direct Electrophilic Attack of Compound I on the Indole Ring in the Peroxygenase Mechanism of Dehaloperoxidase DHP B in Degrading Haloindole: Electron Transfer Promotes the Reaction. Inorganic chemistry (2023)
Xue Zhang, Xinyi Li, Yijing Wang, Xianghui Zhang, Yongjun Liu
Computational Study of the Fe(II) and α-Ketoglutarate-Dependent Aryloxyalkanoate Dioxygenase (AAD-1) in the Degradation of the Herbicide 2,4-Dichlorophenoxyacetic Acid. Journal of chemical information and modeling 63 (9) (2023)
Jingjing Wei, Yijing Wang, Xinyi Li, Xue Zhang, Yongjun Liu
Mechanistic Insights into Pyridine Ring Degradation Catalyzed by 2,5-Dihydroxypyridine Dioxygenase NicX. Inorganic chemistry 61 (5) (2022)
Yaru Liu, Yongjun Liu
Computational Study of Aromatic Hydroxylation Catalyzed by the Iron-Dependent Hydroxylase PqqB Involved in the Biosynthesis of Redox Cofactor Pyrroloquinoline Quinone. Inorganic chemistry 61 (15) (2022)
Shiqing Zhang, Xinyi Li, Yijing Wang, Jingjing Wei, Xue Zhang, Yongjun Liu
Computational Study of the Peroxygenase Mechanism Catalyzed by Hemoglobin Dehaloperoxidase Involved in the Degradation of Chlorophenols. Inorganic chemistry 61 (5) (2022)
Lijuan Yan, Yongjun Liu
Mechanistic Insights into the Anaerobic Degradation of Globally Abundant Dihydroxypropanesulfonate Catalyzed by the DHPS-Sulfolyase (HpsG). Journal of chemical information and modeling 62 (11) (2022)
Yijing Wang, Lihua Dong, Hao Su, Yongjun Liu
Dioxygen Activation and N δ ,N ε -Dihydroxylation Mechanism Involved in the Formation of N-Nitrosourea Pharmacophore in Streptozotocin Catalyzed by Nonheme Diiron Enzyme SznF. Inorganic chemistry 61 (39) (2022)
Yijing Wang, Xinyi Li, Jingjing Wei, Xue Zhang, Yongjun Liu
Mechanism of Sugar Ring Contraction and Closure Catalyzed by UDP-d-apiose/UDP-d-xylose Synthase (UAXS). Journal of chemical information and modeling 62 (3) (2022)
Lijuan Yan, Yijing Wang, Shiqing Zhang, Xinyi Li, Jingjing Wei, Zhi-Guo Wang, Yongjun Liu
Inactivation Mechanism of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(methylthio)acetimidamido)pentanoic Acid: Chemical Conversion of the Inactivator in the Active Site. Inorganic chemistry 60 (13) (2021)
Shiqing Zhang, Xinyi Li, Yijing Wang, Lijuan Yan, Jingjing Wei, Yongjun Liu
Computational Study of the C5-Hydroxylation Mechanism Catalyzed by the Diiron Monooxygenase PtmU3 as Part of the Platensimycin Biosynthesis. Inorganic chemistry 60 (23) (2021)
Yijing Wang, Lijuan Yan, Xinyi Li, Shiqing Zhang, Jingjing Wei, Yongjun Liu
Formation Mechanism of Cofactor Cys-Tyr in the Cysteine Dioxygenases (CDO and F2-CDO) and Its Influence on Catalysis: A QM/MM Study. Inorganic chemistry 60 (11) (2021)
Jingjing Wei, Yongjun Liu
Mechanistic Insights into the P450 TleB-Catalyzed Unusual Intramolecular C-N Bond Formation Involved in the Biosynthesis of Indolactam V. Journal of chemical information and modeling 61 (7) (2021)
Ge Tian, Gangping Hao, Xiaohua Chen, Yongjun Liu
Tyrosyl Radical-Mediated Sequential Oxidative Decarboxylation of Coproporphyrinogen III through PCET: Theoretical Insights into the Mechanism of Coproheme Decarboxylase ChdC. Inorganic chemistry 60 (17) (2021)
Shiqing Zhang, Yongjun Liu
Mechanical Insights into the Enzymatic Cleavage of Double C-C Bond in Poly(cis-1,4-isoprene) by the Latex Clearing Protein. Inorganic chemistry 59 (14) (2020)
Yaru Liu, Junyou Shi, Yongjun Liu
Mechanistic Insights into the Oxidative Ring Expansion from Penicillin N to Deacetoxycephalosporin C Catalyzed by a Nonheme Iron(II) and α-KG-Dependent Oxygenase. Inorganic chemistry 59 (17) (2020)
Lijuan Yan, Yongjun Liu
The Retaining Mechanism of Xylose Transfer Catalyzed by Xyloside α-1,3-Xylosyltransferase (XXYLT1): a Quantum Mechanics/Molecular Mechanics Study. Journal of chemical information and modeling 60 (3) (2020)
Xinyi Li, Wenyou Zhu, Yongjun Liu
Mechanistic Insights into the Oxidative Rearrangement Catalyzed by the Unprecedented Dioxygenase ChaP Involved in Chartreusin Biosynthesis. Inorganic chemistry 59 (19) (2020)
Shiqing Zhang, Yongjun Liu
Mechanism of fatty acid decarboxylation catalyzed by a non-heme iron oxidase (UndA): a QM/MM study. Organic & biomolecular chemistry 17 (45) (2019)
Hong Li, Wenyou Zhu, Yongjun Liu
Mechanism of Uncoupled Carbocyclization and Epimerization Catalyzed by Two Non-Heme Iron/α-Ketoglutarate Dependent Enzymes. Journal of chemical information and modeling 59 (12) (2019)
Lijuan Yan, Yongjun Liu
Insights into the Mechanism and Enantioselectivity in the Biosynthesis of Ergot Alkaloid Cycloclavine Catalyzed by Aj_EasH from Aspergillus japonicus. Inorganic chemistry 58 (20) (2019)
Heng-Shuai Li, Haiquan Hu, Chenglin Bai, Chunjiang Bao, Feng Guo, Zhenbao Feng, Yongjun Liu
The charge regulation of electronic structure and optical properties of graphitic carbon nitride under strain. RSC advances 9 (13) (2019)
Xiya Wang, Junyou Shi, Yongjun Liu
Oxidative Rearrangement Mechanism of Pentalenolactone F Catalyzed by Cytochrome P450 CYP161C2 (PntM). Inorganic chemistry 57 (15) (2018)
Ge Tian, Yongjun Liu
Mechanistic insights into the catalytic reaction of ferulic acid decarboxylase from Aspergillus niger: a QM/MM study. Physical chemistry chemical physics : PCCP 19 (11) (2018)
Xiya Wang, Hao Su, Yongjun Liu
Insights into the unprecedented epoxidation mechanism of fumitremorgin B endoperoxidase (FtmOx1) from Aspergillus fumigatus by QM/MM calculations. Physical chemistry chemical physics : PCCP 19 (11) (2018)
Hao Su, Guangcai Ma, Yongjun Liu
Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome P450 Enzymes. Inorganic chemistry 57 (18) (2018)
Chenxiao Zhao, Baoping Ling, Lihua Dong, Yongjun Liu
Theoretical insights into the protonation states of active site cysteine and citrullination mechanism of Porphyromonas gingivalis peptidylarginine deiminase. Proteins 85 (8) (2017)
Chenxiao Zhao, Lihua Dong, Yongjun Liu
A QM/MM study of the catalytic mechanism of SAM methyltransferase RlmN from Escherichia coli. Proteins 85 (11) (2017)
Na Cheng, Changqiao Zhang, Yongjun Liu
Tuning the electronic and optical properties of NDT-based conjugated polymers by adopting fused heterocycles as acceptor units: a theoretical study. Journal of molecular modeling 23 (8) (2017)
Lihua Dong, Yongjun Liu
Comparative studies of the catalytic mechanisms of two chorismatases: CH-fkbo and CH-Hyg5. Proteins 85 (6) (2017)

Yongjun Liu.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Yongjun Liu