Dingguo Xu

发表

Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes.

Guohui Li, Q. Cui, Hua Guo, 2006, The journal of physical chemistry. B.

Molecular dynamics investigations of oligosaccharides recognized by family 16 and 22 carbohydrate binding modules.

Dingguo Xu, Ruihan Wang, 2019, Physical chemistry chemical physics : PCCP.

GPU Accelerated Quantum Virtual Screening: Application for the Natural Inhibitors of New Dehli Metalloprotein (NDM-1)

Dingguo Xu, J. Zeng, Mingsong Shi, 2018, Front. Chem..

QM/MM investigation of substrate binding of subclass B3 metallo-β-lactamase SMB-1 from Serratia marcescents: insights into catalytic mechanism

Dingguo Xu, Xia Mu, 2020, Journal of Molecular Modeling.

Molecular dynamics investigations of an indicator displacement assay mechanism in a liquid crystal sensor.

Dingguo Xu, Qingyu Liu, Fang Zuo, 2017, Physical chemistry chemical physics : PCCP.

Quantum mechanical/molecular mechanical studies of zinc hydrolases

Q. Cui, Hua Guo, Dingguo Xu, 2014 .

"Amide resonance" in the catalysis of 1,2-α-L-fucosidase from Bifidobacterium bifidum.

Dingguo Xu, Jingli Liu, Min Zheng, 2013, The journal of physical chemistry. B.

Catalytic mechanism of angiotensin-converting enzyme and effects of the chloride ion.

Dingguo Xu, Shanshan Wu, Chunchun Zhang, 2013, The journal of physical chemistry. B.

Initial events in the degradation of hyaluronan catalyzed by hyaluronate lyase from Streptococcus [corrected] pneumoniae: QM/MM simulation.

Dingguo Xu, Min Zheng, Hongling Zhang, 2012, The journal of physical chemistry. B.

Principles and Applications of Hybrid Quantum Mechanical and Molecular Mechanical Methods

Dingguo Xu, Shanshan Wu, Min Zheng, 2012 .

pH-Dependent reactivity for glycyl-L-tyrosine in carboxypeptidase-A-catalyzed hydrolysis.

Hua Guo, Dingguo Xu, Ruyin Cao, 2011, The journal of physical chemistry. B.

Insights into the biotransformation of 2,4,6-trinitrotoluene by the old yellow enzyme family of flavoproteins. A computational study.

Hong Yang, Dingguo Xu, Zhilin Yang, 2019, Physical chemistry chemical physics : PCCP.

Molecular Dynamics Investigations Suggest a Non-specific Recognition Strategy of 14-3-3σ Protein by Tweezer: Implication for the Inhibition Mechanism

Dingguo Xu, Mingsong Shi, 2019, Front. Chem..

Purification and biochemical characterization of FrsA protein from Vibrio vulnificus as an esterase

Dingguo Xu, Zhimin Li, Zhi-min Li, 2019, PloS one.

Stereoselective inclusion mechanism of ketoprofen into β-cyclodextrin: insights from molecular dynamics simulations and free energy calculations

Dingguo Xu, Mingsong Shi, Chunchun Zhang, 2014, Theoretical Chemistry Accounts.

Isotope effect in normal-to-local transition of acetylene bending modes.

Hua Guo, Dingguo Xu, Jianyi Ma, 2012, The Journal of chemical physics.

Two Copper-Rich Open-Framework Chalcogenides Built from Unusual [Cu5(SnxM1-x)Se10] Clusters and [(SnxM1-x)2Se6] Dimeric Linkers (M = In and Ga).

Dingguo Xu, Dong‐sheng Li, Zhou Wu, 2020, Inorganic chemistry.

A 36-Membered Ring Metal Chalcogenide with a Very Low Framework Density.

Dingguo Xu, Tao Wu, Wei Wang, 2017, Inorganic chemistry.

Amine-Ligated Approach for the Synthesis of Extra-Large-Pore Zinc Phosphites with qtz-h and bnn Topologies.

Dingguo Xu, Zhien Lin, Kangcai Wang, 2016, Inorganic chemistry.

QM/MM investigation of the catalytic mechanism of processive endoglucanase Cel9G from Clostridium cellulovorans.

Dingguo Xu, Mingsong Shi, Penghui Li, 2022, Physical chemistry chemical physics : PCCP.

QM/MM investigation of the catalytic mechanism of angiotensin-converting enzyme

Dingguo Xu, Xia Mu, Chunchun Zhang, 2016, Journal of Molecular Modeling.

Solvent effect on concertedness of the transition state in the hydrolysis of p-nitrophenyl acetate.

Dingguo Xu, D. Xie, Yanzi Zhou, 2005, Organic letters.

A new role of low barrier hydrogen bond in mediating protein stability by small molecules

Yuquan Wei, Dingguo Xu, L. Ouyang, 2021, bioRxiv.

Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate.

Hua Guo, Dingguo Xu, D. Xie, 2007, Chemical communications.

Two-component supramolecular gels derived from amphiphilic shape-persistent cyclo[6]aramides for specific recognition of native arginine.

Dingguo Xu, Lihua Yuan, H. Zeng, 2014, Angewandte Chemie.

Molecular docking and molecular dynamics simulation studies on the adsorption/desorption behavior of bone morphogenetic protein-7 on the β-tricalcium phosphate surface.

Dingguo Xu, Kefeng Wang, Xin Wang, 2020, Physical chemistry chemical physics : PCCP.

Exploring the Binding Mechanism of a Supramolecular Tweezer CLR01 to 14-3-3σ Protein via Well-Tempered Metadynamics

Xiaoping Zhou, Dingguo Xu, Mingsong Shi, 2022, Frontiers in Chemistry.

A three-dimensional lead borate with a fluorite net constructed from different cluster building units

Dingguo Xu, Wei Zhang, Zhien Lin, 2017 .

A quantitative study on the approximation error and speed-up of the multi-scale MCMC (Monte Carlo Markov chain) method for molecular dynamics

Dingguo Xu, Jisheng Kou, Tao Zhang, 2022, J. Comput. Phys..

Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.

Dingguo Xu, L. Ouyang, Heying Pei, 2022, Journal of medicinal chemistry.

A scaled ab initio potential energy surface for acetylene and vinylidene

Hua Guo, Joel M. Bowman, Shengli Zou, 2003 .

Molecular dynamics simulations of the conformational plasticity in the active pocket of salt-inducible kinase 2 (SIK2) multi-state binding with bosutinib

Dingguo Xu, Mengshi Hu, Mingsong Shi, 2022, Computational and structural biotechnology journal.

Molecular Insights into the Role of O2 in Reversed C2h6/C2h4 Separation on Metal–Organic Frameworks

Dingguo Xu, Ruihan Wang, Yeshuang Zhong, 2022, SSRN Electronic Journal.

Open-Framework Beryllium Hydrogen Phosphates with (3,4)-Connected Networks

Dingguo Xu, Daibing Luo, Zhien Lin, 2014 .

An open-framework rutile-type magnesium isonicotinate and its structural analogue with an anatase topology.

Dingguo Xu, Daibing Luo, Zhien Lin, 2013, Dalton transactions.

Effect of ligand isomerism on the formation of magnesium-based coordination networks

Dingguo Xu, Daibing Luo, Zhien Lin, 2014 .

New open-framework cobalt sulfate-oxalates based on molecular and chain-like building blocks.

Dingguo Xu, Daibing Luo, Zhien Lin, 2014, Dalton transactions.

Solvent induced structural variation in magnesium carboxylate frameworks

Dingguo Xu, Daibing Luo, Zhien Lin, 2013 .

Molecular Dynamics Simulation of Biomimetic Biphasic Calcium Phosphate Nanoparticles.

Dingguo Xu, Xin Wang, Qiao Zhang, 2022, The journal of physical chemistry. B.

The cytochrome c–cyclo[6]aramide complex as a supramolecular catalyst in methanol

Dingguo Xu, Lihua Yuan, Wen Feng, 2018 .

Multiple functions of amines in the synthesis of anionic, cationic, and neutral indium oxalates

Dingguo Xu, Zhien Lin, Chunchun Zhang, 2017 .

Insights into the Catalytic Mechanism of Unsaturated Glucuronyl Hydrolase of Bacillus sp. GL1.

Dingguo Xu, Jing Xiong, 2017, The journal of physical chemistry. B.

QM/MM studies of the enzyme-catalyzed dechlorination of 4-chlorobenzoyl-CoA provide insight into reaction energetics.

Q. Cui, Hua Guo, D. Dunaway-Mariano, 2004, Journal of the American Chemical Society.

Open-framework beryllium phosphates with a zeolitic CrB4 topology and their structural analogues containing 12-ring channels

Dingguo Xu, Daibing Luo, Zhien Lin, 2015 .

New open-framework beryllium phosphates with hcb, sql, and bnn topologies

Dingguo Xu, Daibing Luo, Zhien Lin, 2015 .

Inherently Chiral Azonia[6]helicene-Modified β-Cyclodextrin: Synthesis, Characterization, and Chirality Sensing of Underivatized Amino Acids in Water.

Tadashi Mori, Yoshihisa Inoue, Cheng Yang, 2016, The Journal of organic chemistry.

Mechanism of Direct C-H Arylation of Pyridine via a Transient Activator Strategy: A Combined Computational and Experimental Study.

Dingguo Xu, Hua Chen, Hai-yan Fu, 2018, The Journal of organic chemistry.

Catalytic Mechanism of Class B2 Metallo-β-lactamase*

Hua Guo, Daiqian Xie, Dingguo Xu, 2006, Journal of Biological Chemistry.

Direct, facile aldehyde and ketone alpha-selenenylation reactions promoted by L-prolinamide and pyrrolidine sulfonamide organocatalysts.

Jian Wang, Hao Li, Dingguo Xu, 2005, The Journal of organic chemistry.

Theoretical studies of dissociative phosphoryl transfer in interconversion of phosphoenolpyruvate to phosphonopyruvate: solvent effects, thio effects, and implications for enzymatic reactions.

D. York, Hua Guo, Dingguo Xu, 2005, The journal of physical chemistry. B.

Cu(OAc)₂-promoted cascade carboamination/oxidative cyclization of C-acylimines with alkenes.

Dingguo Xu, W. Zeng, Huanfeng Jiang, 2014, The Journal of organic chemistry.

Highly efficient, one-step macrocyclizations assisted by the folding and preorganization of precursor oligomers.

Hua Guo, Dingguo Xu, B. Gong, 2004, Journal of the American Chemical Society.

Ditopic CMPO-pillar[5]arenes as unique receptors for efficient separation of americium(III) and europium(III).

Dingguo Xu, Shoujian Li, Lei-Lei Wu, 2015, Chemical communications.

New lanthanide sulfate–oxalate hybrid solids containing different inorganic building blocks

Dingguo Xu, Daibing Luo, Zhien Lin, 2013 .

An inorganic-organic hybrid solid with B5O7(OH)3 clusters bridged and decorated by zinc–amine complexes

Dingguo Xu, Zhien Lin, Qingyu Liu, 2018, Inorganic Chemistry Communications.

Molecular dynamics exploration of ion association mechanism of apatite controlled by a nanogrooved hydroxyapatite surface

Dingguo Xu, Xin Wang, Z. Xue, 2023, Applied Surface Science.

Biomineralization from the Perspective of Ion Aggregation: Calcium Phosphate Nucleation in the Physiological Environment.

Dingguo Xu, Boqing Zhang, Yujiang Fan, 2021, ACS applied materials & interfaces.

Molecular Dynamics Exploration of the Growth Mechanism of Hydroxyapatite Nanoparticles Regulated by Glutamic Acid.

Dingguo Xu, Ruihan Wang, Wen-tao Wang, 2021, The journal of physical chemistry. B.

How Charged Amino Acids Regulate Nucleation of Biomimetic Hydroxyapatite Nanoparticles on the Surface of Collagen Mimetic Peptides: Molecular Dynamics and Free Energy Investigations

Dingguo Xu, Xin Wang, Z. Xue, 2020 .

Nucleation of Biomimetic Hydroxyapatite Nanoparticles on the Surface of Type I Collagen: Molecular Dynamics Investigations

Dingguo Xu, Mingli Yang, Z. Xue, 2019, The Journal of Physical Chemistry C.

Catalytic mechanism of hyaluronate lyase from Streptococcus pneumonia [corrected] : quantum mechanical/molecular mechanical and density functional theory studies.

Dingguo Xu, Min Zheng, 2013, The journal of physical chemistry. B.

Surface Structure of Hydroxyapatite from Simulated Annealing Molecular Dynamics Simulations.

Dingguo Xu, Xing‐dong Zhang, Mingli Yang, 2016, Langmuir : the ACS journal of surfaces and colloids.

Molecular Dynamics Characterization of Sr-Doped Biomimetic Hydroxyapatite Nanoparticles

Dingguo Xu, Qingyu Liu, Z. Xue, 2020, The Journal of Physical Chemistry C.

Quantum mechanical/molecular mechanical study of anthrax lethal factor catalysis

Hua Guo, Dingguo Xu, Gregory K. Smith, 2011 .

Theoretical study of predissociation dynamics of HCN/DCN in their first absorption bands

Hua Guo, Dingguo Xu, D. Xie, 2002 .

Theoretical studies on the potential energy surface and rovibrational states for the electronic ground state of carbonyl sulfide

Yuhui Lu, Dingguo Xu, D. Xie, 2001 .

Contributions of long-range electrostatic interactions to 4-chlorobenzoyl-CoA dehalogenase catalysis: a combined theoretical and experimental study.

Hua Guo, D. Dunaway-Mariano, Dingguo Xu, 2006, Biochemistry.

Electrostatic influence of active‐site waters on the nucleophilic aromatic substitution catalyzed by 4‐chlorobenzoyl‐CoA dehalogenase

Hua Guo, Dingguo Xu, 2005, FEBS letters.

A QM/MM study of a nucleophilic aromatic substitution reaction catalyzed by 4-chlorobenzoyl-CoA dehalogenase.

Q. Cui, Hua Guo, Jiali Gao, 2004, Chemical communications.

Mussel-inspired nanozyme catalyzed conductive and self-setting hydrogel for adhesive and antibacterial bioelectronics

Dingguo Xu, F. Ren, Xiong Lu, 2021, Bioactive materials.

Combining crystal graphs and domain knowledge in machine learning to predict metal-organic frameworks performance in methane adsorption

Dingguo Xu, Mingli Yang, Ruihan Wang, 2021, Microporous and Mesoporous Materials.

Dasatinib–SIK2 Binding Elucidated by Homology Modeling, Molecular Docking, and Dynamics Simulations

Dingguo Xu, Lijuan Chen, Mingsong Shi, 2021, ACS omega.

Characterization of purified New Delhi metallo-β-lactamase-1.

Hua Guo, Shanshan Wu, Walter Fast, 2011, Biochemistry.

The electrostatic driving force for nucleophilic catalysis in L-arginine deiminase: a combined experimental and theoretical study.

Hua Guo, D. Dunaway-Mariano, Dingguo Xu, 2008, Biochemistry.

QM/MM Molecular Dynamics Investigations of the Substrate Binding of Leucotriene A4 Hydrolase: Implication for the Catalytic Mechanism.

Dingguo Xu, Xia Mu, 2018, The journal of physical chemistry. B.

THEORETICAL STUDIES OF $\tilde{A}{}^1A^{\prime\prime}\to\tilde{X}{}^1 A^\prime$ RESONANCE EMISSION SPECTRA OF HCN/DCN USING SINGLE LANCZOS PROPAGATION METHOD

Hua Guo, Dingguo Xu, D. Xie, 2003 .

New Delhi metallo-β-lactamase I: substrate binding and catalytic mechanism.

Dingguo Xu, Min Zheng, 2013, The journal of physical chemistry. B.

QM/MM studies of monozinc β-lactamase CphA suggest that the crystal structure of an enzyme-intermediate complex represents a minor pathway.

Hua Guo, Shanshan Wu, Dingguo Xu, 2010, Journal of the American Chemical Society.

Insights into the effect of protein glycosylation on carbohydrate substrate binding.

Dingguo Xu, Zhongping Tan, Ruihan Wang, 2023, International journal of biological macromolecules.

Molecular dynamics investigations of cello-oligosaccharide recognition by Cel9G-CBM3c from Clostridium cellulovorans.

Dingguo Xu, Chunchun Zhang, Penghui Li, 2018, Physical chemistry chemical physics : PCCP.

Atomically precise metal-chalcogenide semiconductor molecular nanoclusters with high dispersibility: Designed synthesis and intracluster photocarrier dynamics

Dingguo Xu, Lei Shen, Dong‐sheng Li, 2020, Nano Research.

Perfect balance harmony in Ba2NO3(OH)3: a beryllium-free nitrate as a UV nonlinear optical material.

Dingguo Xu, Zhien Lin, Ling Huang, 2018, Chemical communications.

Dual-ligand approach for the solvent-free synthesis of indium-based coordination polymers

Dingguo Xu, Zhien Lin, Chunchun Zhang, 2018, Inorganic Chemistry Communications.

Catalysis of carboxypeptidase A: promoted-water versus nucleophilic pathways.

Hua Guo, Shanshan Wu, Dingguo Xu, 2010, The journal of physical chemistry. B.

Quantum mechanical/molecular mechanical and density functional theory studies of a prototypical zinc peptidase (carboxypeptidase A) suggest a general acid-general base mechanism.

Hua Guo, Dingguo Xu, Hua Guo, 2009, Journal of the American Chemical Society.

Density Functional Theory Investigations of D-A-D' Structural Molecules as Donor Materials in Organic Solar Cell

Dingguo Xu, Z. Zhao, Zhiyun Lu, 2018, Front. Chem..

Understanding the hydrogen transfer mechanism for the biodegradation of 2,4,6-trinitrotoluene catalyzed by pentaerythritol tetranitrate reductase: molecular dynamics simulations.

Dingguo Xu, Zhilin Yang, Chaoyang Zhang, 2018, Physical chemistry chemical physics : PCCP.

Catalytic mechanism of type C sialidase from Streptococcus pneumoniae: from covalent intermediate to final product

Dingguo Xu, Chunchun Zhang, Jing Xiong, 2018, Journal of Molecular Modeling.

Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials.

Dingguo Xu, Zhien Lin, Ruihan Wang, 2023, Inorganic chemistry.

Polarization spectroscopy of aluminum phthalocyanine hydroxide embedded in superfluid helium droplets

Hua Guo, Dingguo Xu, W. Kong, 2008 .

Interactions between curcumin and human salt-induced kinase 3 elucidated from computational tools and experimental methods

Dingguo Xu, Mingsong Shi, Yanting Zhou, 2023, Frontiers in Pharmacology.

High-Throughput Computational Screening and Machine Learning Model for Accelerated Metal–Organic Frameworks Discovery in Toluene Vapor Adsorption

Dingguo Xu, Xiaohua Liu, Ruihan Wang, 2023, The Journal of Physical Chemistry C.

Processive binding mechanism of Cel9G from Clostridium cellulovorans: molecular dynamics and free energy landscape investigations.

Dingguo Xu, Chunyan Zhang, Penghui Li, 2022, Physical chemistry chemical physics : PCCP.

Probing highly excited vibrational eigenfunctions using a modified single Lanczos propagation method: Application to acetylene (HCCH)

Hua Guo, Dingguo Xu, Rongqing Chen, 2003 .

Antibiotic deactivation by a dizinc beta-lactamase: mechanistic insights from QM/MM and DFT studies.

Hua Guo, Dingguo Xu, Qiang Cui, 2007, Journal of the American Chemical Society.

A Ti-MOF Decorated With a Pt Nanoparticle Cocatalyst for Efficient Photocatalytic H2 Evolution: A Theoretical Study

Dingguo Xu, Zhien Lin, Mingli Yang, 2020, Frontiers in Chemistry.

General Charge Transfer Dipole Model for AMOEBA-Like Force Fields.

Dingguo Xu, Qiantaoa Wang, Jianyi Ma, 2023, Journal of chemical theory and computation.

QM/MM study of catalytic mechanism of Xylanase Cex from Cellulomonas fimi.

Dingguo Xu, Jingli Liu, Chunchun Zhang, 2012, Journal of molecular graphics & modelling.

Accelerating Discovery of Metal-Organic Frameworks for Methane Adsorption with Hierarchical Screening and Deep Learning.

Dingguo Xu, Mingli Yang, Ruihan Wang, 2020, ACS applied materials & interfaces.

Mechanistic Insights into the Hydrolysis of O-GlcNAcylation Catalyzed by Human O-GlcNAcase.

Dingguo Xu, Jing Xiong, 2020, The journal of physical chemistry. B.

Exploring the stability of inhibitor binding to SIK2 using molecular dynamics simulation and binding free energy calculation.

Dingguo Xu, Lijuan Chen, Mingsong Shi, 2021, Physical chemistry chemical physics : PCCP.

Investigating the Hydroxyl Reorientation in Hydroxyapatite Using Machine Learning Potentials

Dingguo Xu, Xin Wang, J. Wang, 2023, The Journal of Physical Chemistry C.

Full-dimensional quantum calculations of vibrational energy levels of acetylene (HCCH) up to 13,000 cm−1

Guohui Li, Hua Guo, Dingguo Xu, 2002 .

Design, synthesis and biological evaluation of purine-based derivatives as novel JAK2/BRD4(BD2) dual target inhibitors.

Dingguo Xu, T. Yang, Yong Guo, 2023, Bioorganic chemistry.

QM/MM study on the catalytic mechanism of cellulose hydrolysis catalyzed by cellulase Cel5A from Acidothermus cellulolyticus.

Dingguo Xu, Jingli Liu, Xuemei Wang, 2010, Journal of Physical Chemistry B.

Identifying Protein-Ligand Interactions via a Novel Distance Self-Feedback Biomolecular Interaction Network.

Dingguo Xu, Ruihan Wang, Xin Wang, 2023, The journal of physical chemistry. B.

Functional role of R462 in the degradation of hyaluronan catalyzed by hyaluronate lyase from Streptococcus pneumoniae

Dingguo Xu, Fengxue Li, 2015, Journal of Molecular Modeling.

Inhibition mechanism of hydroxyproline-like small inhibitors to disorder HIF-VHL interaction by molecular dynamic simulations and binding free energy calculations

Xiaoping Zhou, Dingguo Xu, Mingsong Shi, 2021, Chinese Journal of Chemical Physics.

Structural Insights into the Interactions of Belumosudil with Rho-associated Coiled-coil Containing Protein Kinases 1 and 2 based on Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculations

Xiaoping Zhou, Dingguo Xu, Heying Pei, 2022, Journal of Computational Biophysics and Chemistry.

Molecular dynamics exploration of the amorphous surface structures and properties of the biomimetic β-tricalcium phosphate

Dingguo Xu, Xin Wang, Z. Xue, 2019, Applied Surface Science.

Effect of Hydroxyapatite Surface on BMP-2 Biological Properties by Docking and Molecular Simulation Approaches.

Dingguo Xu, Meng-hao Wang, Kefeng Wang, 2019, The journal of physical chemistry. B.

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.

Dingguo Xu, T. Yang, Mingli Xiang, 2023, Journal of medicinal chemistry.

Theoretical emission spectra of HNC(Ã1A″) on a new ab initio potential energy surface

Hua Guo, R. Field, Dingguo Xu, 2008 .

An open-framework rutile-type magnesium isonicotinate and its structural analogue with an anatase topology.

Dingguo Xu, Daibing Luo, Zhien Lin, 2013, Dalton Transactions.

QM/MM studies of monozinc β-lactamase CphA suggest that the crystal structure of an enzyme-intermediate complex represents a minor pathway.

Hua Guo, Dingguo Xu, Shanshan Wu, 2010, Journal of the American Chemical Society.

Predissociation of HCN/DCN in Two Lowest-Lying Singlet Excited States: Effect of Fermi Resonances on Spectra and Dynamics

Hua Guo, Dingguo Xu, ‡§ and Daiqian Xie, 2002 .

Insights into the Catalytic Mechanism of Unsaturated Glucuronyl Hydrolase of Bacillus sp. GL1.

Dingguo Xu, Jing Xiong, 2017, The journal of physical chemistry. B.

Supporting Information Perfect Balance Harmony in Ba2NO3(OH)3: A Beryllium-Free Nitrate as UV Nonlinear Optical Material

Dingguo Xu, Zhien Lin, Ling Huang, 2018 .

Molecular dynamics investigations of an indicator displacement assay mechanism in a liquid crystal sensor.

Dingguo Xu, Qingyu Liu, Fang Zuo, 2017, Physical chemistry chemical physics : PCCP.

Antibiotic binding to dizinc beta-lactamase L1 from Stenotrophomonas maltophilia: SCC-DFTB/CHARMM and DFT studies.

Hua Guo, Dingguo Xu, Qiang Cui, 2007, The journal of physical chemistry. A.

Antibiotic binding to monozinc CphA beta-lactamase from Aeromonas hydropila: quantum mechanical/molecular mechanical and density functional theory studies.

Hua Guo, Daiqian Xie, Dingguo Xu, 2005, Journal of medicinal chemistry.

Catalytic mechanism of class B2 metallo-beta-lactamase.

Hua Guo, Dingguo Xu, D. Xie, 2006, The Journal of biological chemistry.