Dingguo Xu

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 48

Top Venues

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

Inorganic chemistry

Journal of chemical theory and computation

Sichuan University

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

Affiliation History

Sichuan University May 09 2008

China

Professor :: Chemistry

University of New Mexico Aug 15 2003 - Apr 30 2008

United States

Research Assistant Professor :: Chemistry and Chemical Biology

Publications

Jing Xiong, Dingguo Xu
Decarboxylation Mechanism of iso -Orotate Decarboxylase Revisited. Journal of chemical theory and computation (2024)
Xuemei Wen, Jing Wang, Zhizhuan Zhang, Xiangyu Han, Hongmei Zeng, Guo-Hong Zou, Dingguo Xu, Zhi'en Lin
A Three-Dimensional Open-Framework Tin(II) Sulfate with Near-Unity Photoluminescence Quantum Yield. Inorganic chemistry (2024)
Zekun Jing, Yakun Guo, Qi Wang, Xinrong Yan, Guozong Yue, Zhendong Li, Hanwen Liu, Ruixuan Qin, Changyin Zhong, Mingzhen Li, Dingguo Xu, Yunxi Yao, Yonggang Yao, Maobing Shuai
Ambient hydrogenation of solid aromatics enabled by a high entropy alloy nanocatalyst. Nature communications 15 (1) (2024)
Xuemei Wen, Jing Wang, Zhizhuan Zhang, Xiangyu Han, Hongmei Zeng, Guo-Hong Zou, Dingguo Xu, Zhi'en Lin
A Three-Dimensional Open-Framework Tin(II) Sulfate with Near-Unity Photoluminescence Quantum Yield. Inorganic chemistry 63 (19) (2024)
Zekun Jing, Yakun Guo, Qi Wang, Xinrong Yan, Guozong Yue, Zhendong Li, Hanwen Liu, Ruixuan Qin, Changyin Zhong, Mingzhen Li, Dingguo Xu, Yunxi Yao, Yonggang Yao, Maobing Shuai
Ambient hydrogenation of solid aromatics enabled by a high entropy alloy nanocatalyst. Nature communications 15 (1) (2024)
Xinrong Yan, Meng Du, Jiwei Li, Ying Xue, Yibo Wu, Hao Zhang, Xin Wang, Dingguo Xu
A theoretical study of the mechanism of cationic polymerization of isobutylene catalysed by EtAlCl 2 / t -BuCl with bis(2-chloroethyl)ether in hexanes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Xinrong Yan, Meng Du, Jiwei Li, Ying Xue, Yibo Wu, Hao Zhang, Xin Wang, Dingguo Xu
A theoretical study of the mechanism of cationic polymerization of isobutylene catalysed by EtAlCl 2 / t -BuCl with bis(2-chloroethyl)ether in hexanes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Meng Du, Xinrong Yan, Nanrong Zhao, Xin Wang, Dingguo Xu
Self-assembly of rigid amphiphilic graft cyclic-brush copolymers to nanochannels using dissipative particle dynamics simulation. Soft matter (2024)
Zekun Jing, Yakun Guo, Qi Wang, Xinrong Yan, Guozong Yue, Zhendong Li, Hanwen Liu, Ruixuan Qin, Changyin Zhong, Mingzhen Li, Dingguo Xu, Yunxi Yao, Yonggang Yao, Maobing Shuai
Ambient hydrogenation of solid aromatics enabled by a high entropy alloy nanocatalyst. Nature communications 15 (1) (2024)
Jing Xiong, Dingguo Xu
Decarboxylation Mechanism of iso -Orotate Decarboxylase Revisited. Journal of chemical theory and computation 20 (10) (2024)
Xinrong Yan, Meng Du, Jiwei Li, Ying Xue, Yibo Wu, Hao Zhang, Xin Wang, Dingguo Xu
A theoretical study of the mechanism of cationic polymerization of isobutylene catalysed by EtAlCl 2 / t -BuCl with bis(2-chloroethyl)ether in hexanes. Physical chemistry chemical physics : PCCP (2024)
Meng Du, Xinrong Yan, Nanrong Zhao, Xin Wang, Dingguo Xu
Self-assembly of rigid amphiphilic graft cyclic-brush copolymers to nanochannels using dissipative particle dynamics simulation. Soft matter 20 (10) (2024)
Jing Xiong, Dingguo Xu
Decarboxylation Mechanism of iso -Orotate Decarboxylase Revisited. Journal of chemical theory and computation 20 (10) (2024)
Ruihan Wang, Yeshuang Zhong, Xuehua Dong, Meng Du, Haolun Yuan, Yurong Zou, Xin Wang, Zhi'en Lin, Dingguo Xu
Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials. Inorganic chemistry (2023)
Dexin Deng, Yingxue Yang, Yurong Zou, Kongjun Liu, Chufeng Zhang, Minghai Tang, Tao Yang, Yong Chen, Xue Yuan, Yong Guo, Shunjie Zhang, Wenting Si, Bin Peng, Qing Xu, Wen He, Dingguo Xu, Mingli Xiang, Li-Juan Chen
Discovery and Evaluation of 3-Quinoxalin Urea Derivatives as Potent, Selective, and Orally Available ATM Inhibitors Combined with Chemotherapy for the Treatment of Cancer via Goal-Oriented Molecule Generation and Virtual Screening. Journal of medicinal chemistry (2023)
Wei Wang, Dengjie Yan, Yao Cai, Dingguo Xu, Jianyi Ma, Qiantao Wang
General Charge Transfer Dipole Model for AMOEBA-Like Force Fields. Journal of chemical theory and computation (2023)
Yurong Zou, Ruihan Wang, Meng Du, Xin Wang, Dingguo Xu
Identifying Protein-Ligand Interactions via a Novel Distance Self-Feedback Biomolecular Interaction Network. The journal of physical chemistry. B 127 (4) (2023)
Yurong Zou, Ruihan Wang, Meng Du, Xin Wang, Dingguo Xu
Identifying Protein-Ligand Interactions via a Novel Distance Self-Feedback Biomolecular Interaction Network. The journal of physical chemistry. B (2023)
Yurong Zou, Ruihan Wang, Meng Du, Xin Wang, Dingguo Xu
Identifying Protein-Ligand Interactions via a Novel Distance Self-Feedback Biomolecular Interaction Network. The journal of physical chemistry. B 127 (4) (2023)
Ruihan Wang, Yeshuang Zhong, Xuehua Dong, Meng Du, Haolun Yuan, Yurong Zou, Xin Wang, Zhi'en Lin, Dingguo Xu
Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials. Inorganic chemistry 62 (11) (2023)
Yao Cai, Xia Mu, Guo-Hui Li, Dingguo Xu
Quantum Mechanical/Molecular Mechanical Elucidation of the Catalytic Mechanism of Leukotriene A4 Hydrolase as an Epoxidase. The journal of physical chemistry. B (2023)
Yurong Zou, Ruihan Wang, Meng Du, Xin Wang, Dingguo Xu
Identifying Protein-Ligand Interactions via a Novel Distance Self-Feedback Biomolecular Interaction Network. The journal of physical chemistry. B 127 (4) (2023)
Wei Wang, Dengjie Yan, Yao Cai, Dingguo Xu, Jianyi Ma, Qiantao Wang
General Charge Transfer Dipole Model for AMOEBA-Like Force Fields. Journal of chemical theory and computation 19 (9) (2023)
Jianhong Yang, Yong Li, Qiang Qiu, Ruihan Wang, Wei Yan, Yamei Yu, Lu Niu, Heying Pei, Haoche Wei, Liang Ouyang, Hao-Yu Ye, Dingguo Xu, Yuquan Wei, Qiang Chen, Li-Juan Chen
Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. Journal of medicinal chemistry 65 (13) (2022)
Yuyi Tang, Ruihan Wang, Xuehua Dong, Meng Yang, Ling Huang, Hongmei Zeng, Guo-Hong Zou, Dingguo Xu, Zhi'en Lin
Enhanced Interlayer Interaction and Second-Harmonic-Generation Response in a KBe 2 BO 3 F 2 -Type Inorganic-Organic Hybrid Zinc Borate. Inorganic chemistry 61 (18) (2022)
Qiao Zhang, Zhiyu Xue, Xin Wang, Dingguo Xu
Molecular Dynamics Simulation of Biomimetic Biphasic Calcium Phosphate Nanoparticles. The journal of physical chemistry. B 126 (46) (2022)
Zhiyu Xue, Xin Wang, Dingguo Xu
Molecular dynamic simulation of prenucleation of apatite at a type I collagen template: ion association and mineralization control. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Jing Wang, Ruihan Wang, Mingli Yang, Dingguo Xu
Understanding zinc-doped hydroxyapatite structures using first-principles calculations and convolutional neural network algorithm. Journal of materials chemistry. B 10 (8) (2022)
Zhiyu Xue, Xin Wang, Dingguo Xu
Molecular investigations of the prenucleation mechanism of bone-like apatite assisted by type I collagen nanofibrils: insights into intrafibrillar mineralization. Physical chemistry chemical physics : PCCP 24 (31) (2022)
Penghui Li, Xin Wang, Chunchun Zhang, Dingguo Xu
Processive binding mechanism of Cel9G from Clostridium cellulovorans : molecular dynamics and free energy landscape investigations. Physical chemistry chemical physics : PCCP (2022)
Penghui Li, Mingsong Shi, Xin Wang, Dingguo Xu
QM/MM investigation of the catalytic mechanism of processive endoglucanase Cel9G from Clostridium cellulovorans . Physical chemistry chemical physics : PCCP 24 (19) (2022)
Mingsong Shi, Jun He, Tiantian Weng, Na Shi, Wenyan Qi, Yong Guo, Tao Chen, Lijuan Chen, Dingguo Xu
The binding mechanism of NHWD-870 to bromodomain-containing protein 4 based on molecular dynamics simulations and free energy calculation. Physical chemistry chemical physics : PCCP 24 (8) (2022)
Kefeng Wang, Fengxiong Luo, Ling Wang, Boqing Zhang, Yujiang Fan, Xin Wang, Dingguo Xu, Xingdong Zhang
Biomineralization from the Perspective of Ion Aggregation: Calcium Phosphate Nucleation in the Physiological Environment. ACS applied materials & interfaces 13 (41) (2021)
Mingsong Shi, Min Zhao, Lun Wang, Kongjun Liu, Penghui Li, Jiang Liu, Xiaoying Cai, Lijuan Chen, Dingguo Xu
Exploring the stability of inhibitor binding to SIK2 using molecular dynamics simulation and binding free energy calculation. Physical chemistry chemical physics : PCCP 23 (23) (2021)
Wentian Wang, Zhiyu Xue, Ruihan Wang, Xin Wang, Dingguo Xu
Molecular Dynamics Exploration of the Growth Mechanism of Hydroxyapatite Nanoparticles Regulated by Glutamic Acid. The journal of physical chemistry. B 125 (19) (2021)
Mingsong Shi, Lun Wang, Penghui Li, Jiang Liu, Li-Juan Chen, Dingguo Xu
Dasatinib-SIK2 Binding Elucidated by Homology Modeling, Molecular Docking, and Dynamics Simulations. ACS omega 6 (16) (2021)
Ruihan Wang, Yeshuang Zhong, Leming Bi, Mingli Yang, Dingguo Xu
Accelerating Discovery of Metal-Organic Frameworks for Methane Adsorption with Hierarchical Screening and Deep Learning. ACS applied materials & interfaces 12 (47) (2020)
Jing Xiong, Dingguo Xu
Mechanistic Insights into the Hydrolysis of O-GlcNAcylation Catalyzed by Human O-GlcNAcase. The journal of physical chemistry. B 124 (42) (2020)
Xia Mu, Dingguo Xu
QM/MM investigation of substrate binding of subclass B3 metallo-β-lactamase SMB-1 from Serratia marcescents: insights into catalytic mechanism. Journal of molecular modeling 26 (4) (2020)
Bing Han, Jing Wang, Yong Liu, Xiang Wang, Chaozhuang Xue, Jing Lv, Zhou Wu, Rui Zhou, Dingguo Xu, Dong-Sheng Li, Tao Wu
Two Copper-Rich Open-Framework Chalcogenides Built from Unusual [Cu5(SnxM1-x)Se10] Clusters and [(SnxM1-x)2Se6] Dimeric Linkers (M = In and Ga). Inorganic chemistry 59 (12) (2020)
Zhang Zhang, Lei Zhang, Ling He, Wen-Li Yuan, Dingguo Xu, Guo-Hong Tao
Is it Always Chemical When Amino Groups Come Across CO2? Anion-Anion-Interaction-Induced Inhibition of Chemical Adsorption. The journal of physical chemistry. B 123 (30) (2019)
Ruihan Wang, Dingguo Xu
Molecular dynamics investigations of oligosaccharides recognized by family 16 and 22 carbohydrate binding modules. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Haojie Gu, Zhiyu Xue, Menghao Wang, Mingli Yang, Kefeng Wang, Dingguo Xu
Effect of Hydroxyapatite Surface on BMP-2 Biological Properties by Docking and Molecular Simulation Approaches. The journal of physical chemistry. B 123 (15) (2019)
Xia Mu, Dingguo Xu
QM/MM Molecular Dynamics Investigations of the Substrate Binding of Leucotriene A4 Hydrolase: Implication for the Catalytic Mechanism. The journal of physical chemistry. B 122 (29) (2018)
Feiyun Jia, Changzhen Yin, Yang Zeng, Rui Sun, Yi-Cen Ge, Dingguo Xu, Rui-Xiang Li, Hua Chen, Chunchun Zhang, Hai-Yan Fu
Mechanism of Direct C-H Arylation of Pyridine via a Transient Activator Strategy: A Combined Computational and Experimental Study. The Journal of organic chemistry 83 (17) (2018)
Jing Xiong, Chunchun Zhang, Dingguo Xu
Catalytic mechanism of type C sialidase from Streptococcus pneumoniae: from covalent intermediate to final product. Journal of molecular modeling 24 (10) (2018)
Jing Xiong, Dingguo Xu
Insights into the Catalytic Mechanism of Unsaturated Glucuronyl Hydrolase of Bacillus sp. GL1. The journal of physical chemistry. B 121 (5) (2017)
Wei Wang, Huajun Yang, Min Luo, Yeshuang Zhong, Dingguo Xu, Tao Wu, Zhi'en Lin
A 36-Membered Ring Metal Chalcogenide with a Very Low Framework Density. Inorganic chemistry 56 (24) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Dingguo Xu