Binju Wang

发表

How does tunneling contribute to counterintuitive H-abstraction reactivity of nonheme Fe(IV)O oxidants with alkanes?

S. Shaik, Debasish Mandal, Rajeev Ramanan, 2015, Journal of the American Chemical Society.

Highly water-soluble, porous, and biocompatible boron nitrides for anticancer drug delivery.

Xuebin Wang, Y. Bando, D. Golberg, 2014, ACS nano.

A redox-mediated Kemp eliminase

S. Shaik, I. Korendovych, M. Reetz, 2017, Nature Communications.

QM/MM MD simulations reveal an asynchronous PCET mechanism for nitrite reduction by copper nitrite reductase.

Chun Wu, Z. Cao, Binju Wang, 2020, Physical chemistry chemical physics : PCCP.

Quantum mechanical/molecular mechanical calculated reactivity networks reveal how cytochrome P450cam and Its T252A mutant select their oxidation pathways.

Sason Shaik, Binju Wang, Kshatresh Dutta Dubey, 2015, Journal of the American Chemical Society.

Unexpected Reactions of α,β-Unsaturated Fatty Acids Provide Insight into the Mechanisms of CYP152 Peroxygenases.

Yue Zhao, Binju Wang, Yuanyuan Jiang, 2021, Angewandte Chemie.

P450-BM3-Catalyzed Sulfoxidation versus Hydroxylation: A Common or Two Different Catalytically Active Species?

M. Reetz, Bo Chen, Binju Wang, 2020, Journal of the American Chemical Society.

Activation of O2 and H2O2 by Lytic Polysaccharide Monooxygenases

G. Davies, C. Rovira, P. Walton, 2020 .

The Fe(III)(H2O2) Complex as a Highly Efficient Oxidant in Sulfoxidation Reactions: Revival of an Underrated Oxidant in Cytochrome P450.

S. Shaik, Binju Wang, Kyung‐Bin Cho, 2013, Journal of chemical theory and computation.

Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition

Huimin Zhao, Binju Wang, Jiahai Zhou, 2022, Nature Catalysis.

THE MECHANISM OF ACID-CATALYZED DECARBOXYLATION OF PYRROLE-2-CARBOXYLIC ACID: INSIGHTS FROM CLUSTER-CONTINUUM MODEL CALCULATIONS

Z. Cao, Jinxia Liang, Binju Wang, 2013 .

Sequential covalent bonding activation and general base catalysis: insight into N-heterocyclic carbene catalyzed formylation of N–H bonds using carbon dioxide and silane

Z. Cao, Binju Wang, Binju Wang, 2013 .

Recent Computational Insights into the Oxygen Activation by Copper-Dependent Metalloenzymes

Wei Peng, Binju Wang, Peng Wu, 2021, Topics in Catalysis.

Computation Sheds Insight into Iron Porphyrin Carbenes' Electronic Structure, Formation, and N-H Insertion Reactivity.

S. Shaik, Binju Wang, Dina A. Sharon, 2016, Journal of the American Chemical Society.

An Unusual and Facile Synthetic Route to Alumoles

H. Roesky, Binju Wang, Jiancheng Li, 2020, Angewandte Chemie.

Photoenzymatic enantioselective intermolecular radical hydroalkylation

Huimin Zhao, Yajie Wang, Binju Wang, 2020, Nature.

How Oxygen-binding Enhances Long-range Electron Transfer: Lessons from Reduction of Lytic Polysaccharide Monooxygenases by Cellobiose Dehydrogenase.

C. Rovira, Binju Wang, Shishi Feng, 2020, Angewandte Chemie.

How Oxygen Binding Enhances Long‐Range Electron Transfer: Lessons From Reduction of Lytic Polysaccharide Monooxygenases by Cellobiose Dehydrogenase

C. Rovira, Binju Wang, Shishi Feng, 2020, Angewandte Chemie.

Discovery of a P450-Catalyzed Oxidative Defluorination Mechanism toward Chiral Organofluorines: Uncovering a Hidden Pathway

J. Wang, Binju Wang, Yingzhuang Chen, 2021, ACS Catalysis.

Breaking the Si/Al Limit of Nanosized β Zeolites: Promoting Catalytic Production of Lactide

Xuesi Chen, O. Terasaki, Jun Luo, 2020 .

Critical Roles of Exchange and Superexchange Interactions in Dictating Electron Transfer and Reactivity in Metalloenzymes.

S. Shaik, Binju Wang, Peng Wu, 2022, The journal of physical chemistry letters.

Multinuclear Mn(II) united-DOTA complexes with enhanced inertness and high MRI contrast ability

Chengjie Sun, Jinhao Gao, Binju Wang, 2022, Cell Reports Physical Science.

Spatiotemporal variations of nitrogen isotopic records in the Arabian Sea

S. Hsu, S. Kao, Binju Wang, 2014 .

Preorganized Internal Electric Field Powers Catalysis in the Active Site of Uracil-DNA Glycosylase

Fangfu Ye, Binju Wang, Zhanfeng Wang, 2022, ACS Catalysis.

How Do Metalloproteins Tame the Fenton Reaction and Utilize •OH Radicals in Constructive Manners?

S. Shaik, C. Rovira, Binju Wang, 2022, Accounts of chemical research.

Chemo- and Regioselective Dihydroxylation of Benzene to Hydroquinone Enabled by Engineered Cytochrome P450 Monooxygenase.

M. Reetz, Hangyu Zhou, Aitao Li, 2018, Angewandte Chemie.

Chemo- and Regioselective Dihydroxylation of Benzene to Hydroquinone Enabled by Engineered Cytochrome P450 Monooxygenase

Hangyu Zhou, Aitao Li, Binju Wang, 2018, Angewandte Chemie.

Computations Reveal a Rich Mechanistic Variation of Demethylation of N-Methylated DNA/RNA Nucleotides by FTO

Sason Shaik, Zexing Cao, Binju Wang, 2015 .

Acid-catalyzed reactions of twisted amides in water solution: competition between hydration and hydrolysis.

Z. Cao, Binju Wang, 2011, Chemistry.

Emergence of Function in P450-Proteins: A Combined Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Study of the Reactive Species in the H2O2-Dependent Cytochrome P450SPα and Its Regio- and Enantioselective Hydroxylation of Fatty Acids.

Sason Shaik, Binju Wang, Kshatresh Dutta Dubey, 2016, Journal of the American Chemical Society.

Theory uncovers an unusual mechanism of DNA repair of a lesioned adenine by AlkB enzymes.

Sason Shaik, Binju Wang, S. Shaik, 2014, Journal of the American Chemical Society.

Significant effect of spin flip on the oxygen atom transfer reaction from (oxo)manganese(V) corroles to thioanisole: insights from density functional calculations.

Z. Cao, Jinxia Liang, Binju Wang, 2012, Physical chemistry chemical physics : PCCP.

QM/MM studies into the H2O2-dependent activity of lytic polysaccharide monooxygenases: evidence for the formation of a caged hydroxyl radical intermediate

S. Shaik, G. Davies, C. Rovira, 2018 .

Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition

Huimin Zhao, Binju Wang, Jiahai Zhou, 2022, Nature Catalysis.

Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies

Q. Kang, L. Bai, Binju Wang, 2022, Nature Communications.

Theoretical and experimental perspectives of interaction mechanism between zein and lysozyme

Hujun Xie, Gerui Ren, Yuling Song, 2022, Food Hydrocolloids.

Conformational Motion of Ferredoxin Enables Efficient Electron Transfer to Heme in the Full-Length P450TT.

S. Shaik, Binju Wang, Zhanfeng Wang, 2021, Journal of the American Chemical Society.

A Single Hydrogen Bond Controls the Selectivity of Transglycosylation vs Hydrolysis in Family 13 Glycoside Hydrolases.

I. André, C. Rovira, Binju Wang, 2022, The journal of physical chemistry letters.

Interaction mechanism between zein and β-lactoglobulin: Insights from multi-spectroscopy and molecular dynamics simulation methods

Ruibo Wu, Z. Cao, Hujun Xie, 2022, Food Hydrocolloids.

One-Pot Enzymatic–Chemical Cascade Route for Synthesizing Aromatic α-Hydroxy Ketones

Liming Liu, Xiulai Chen, Cong Gao, 2021 .

CO2(aq) concentration–dependent CO2 fixation via carboxylation by decarboxylase

Miao Yang, Song Xue, M. Guo, 2021 .

Biodegradation of 2,5-Dihydroxypyridine by 2,5-Dihydroxypyridine Dioxygenase and Its Mutants: Insights into O-O Bond Activation and Flexible Reaction Mechanisms from QM/MM Simulations.

Z. Cao, Binju Wang, Yuzhuang Fu, 2022, Inorganic chemistry.

A mononuclear non-heme high-spin iron(III)-hydroperoxo complex as an active oxidant in sulfoxidation reactions.

S. Shaik, Binju Wang, Kyung‐Bin Cho, 2013, Journal of the American Chemical Society.

How Do Preorganized Electric Fields Function in Catalytic Cycles? The Case of the Enzyme Tyrosine Hydroxylase.

S. Shaik, Binju Wang, W. Peng, 2022, Journal of the American Chemical Society.

Regulating the charge densities of s-Block calcium single-atom site catalysts for efficient N2 activation and reduction

Binju Wang, Shaobin Tang, Xiaoyang Qu, 2023, Chemical Engineering Journal.

Exploring the Potential of Cytochrome P450 CYP109B1 Catalyzed Regio—and Stereoselective Steroid Hydroxylation

Xiaodong Zhang, Aitao Li, Binju Wang, 2021, Frontiers in Chemistry.

Chemical synthesis of lactic acid from cellulose catalysed by lead(II) ions in water

Z. Cao, Qinghong Zhang, H. Wan, 2013, Nature Communications.

Mechanistic Features in Al(I)-Mediated Oxidative Addition of Aryl C–F Bonds: Insights From Density Functional Theory Calculations

Z. Cao, Binju Wang, Ping Li, 2019, Front. Chem..

Deciphering the Reaction Pathway of Mononuclear Iron Enzyme-Catalyzed N≡C Triple Bond Formation in Isocyanide Lipopeptide and Polyketide Biosynthesis.

Hung‐wen Liu, Z. Zheng, Binju Wang, 2022, ACS catalysis.

Biocatalytic aminohydroxylation of styrenes for efficient synthesis of enantiopure β-amino alcohols

Aitao Li, Binju Wang, L. Ye, 2023, Chinese Journal of Catalysis.

Theoretical perspective on mononuclear copper-oxygen mediated C–H and O–H activations: A comparison between biological and synthetic systems

Wei Peng, Binju Wang, Peng Wu, 2022, Chinese Journal of Catalysis.

Deciphering the oxygen activation mechanism at the CuC site of particulate methane monooxygenase

S. Shaik, Binju Wang, W. Peng, 2021, Nature Catalysis.

Dioxygen Activation by Internally Aromatic Metallacycle: Crystallographic Structure and Mechanistic Investigations

H. Xia, Zhixin Chen, Binju Wang, 2020, iScience.

Brønsted Acid Catalyzed Dearomatization by Intramolecular Hydroalkoxylation/Claisen Rearrangement: Diastereo- and Enantioselective Synthesis of Spirolactams.

Binju Wang, Bo Zhou, L. Ye, 2021, Angewandte Chemie.

The Nickel-Pincer Complex in Lactate Racemase Is an Electron Relay and Sink that acts through Proton-Coupled Electron Transfer.

S. Shaik, Binju Wang, 2017, Angewandte Chemie.

Emergence of Function from Nonheme Diiron Oxygenases: A Quantum Mechanical/Molecular Mechanical Study of Oxygen Activation and Organophosphonate Catabolism Mechanisms by PhnZ

Binju Wang, Jia Liu, Xitong Song, 2022, ACS Catalysis.

QM/MM Calculations Reveal the Important Role of α-Heteroatom Substituents in Controlling Selectivity of Mononuclear Nonheme HppE-Catalyzed Reactions

S. Shaik, Wenzhen Lai, Binju Wang, 2020 .

How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton Systems.

S. Shaik, K. Dubey, Wenzhen Lai, 2016, Journal of the American Chemical Society.

Cobalt Carbonyls Stabilized by the N,P-Ligands: Synthesis, Structure, and Catalytic Property for Ethylene Oxide Hydroalkoxycarbonylation.

Jinbo Zhao, Binju Wang, Jiancheng Li, 2021, Chemistry, an Asian journal.

Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid

Tianfu Wu, Liming Liu, Binju Wang, 2021, ACS Catalysis.

Transformation of cellulose and related carbohydrates into lactic acid with bifunctional Al(III)–Sn(II) catalysts

Z. Cao, Qinghong Zhang, Ye Wang, 2018 .

Explore the interaction mechanism between zein and EGCG using multi-spectroscopy and molecular dynamics simulation methods

Ruibo Wu, Z. Cao, Hujun Xie, 2021 .

Theory Demonstrated a "Coupled" Mechanism for O2 Activation and Substrate Hydroxylation by Binuclear Copper Monooxygenases.

Z. Cao, Binju Wang, W. Peng, 2019, Journal of the American Chemical Society.

Radical S-Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.

Hung‐wen Liu, Jin-Ming Gao, Binju Wang, 2022, Journal of the American Chemical Society.

The Radical SAM Enzyme BlsE Catalyzes a Radical Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S

Hung‐wen Liu, Binju Wang, Jiahai Zhou, 2022 .

[4Fe–4S]-Mediated Proton-Coupled Electron Transfer Enables the Efficient Degradation of Chloroalkenes by Reductive Dehalogenases

S. Shaik, Zhen Li, Binju Wang, 2023, ACS Catalysis.

Coenzyme Coupling Boosts Charge Transport through Single Bioactive Enzyme Junctions

B. Fang, Yong-Hui Zhang, Wenjing Hong, 2020, iScience.

Reliable Prediction of the Protein-Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA Force Field: A Case Study of Drug Resistance Mutations in Abl Kinase.

Yubing Si, Peifeng Su, Binju Wang, 2022, Journal of chemical theory and computation.

Hydration of carbonyl groups: the labile H3O+ ion as an intermediate modulated by the surrounding water molecules.

Z. Cao, Binju Wang, 2011, Angewandte Chemie.

Understanding the Key Roles of pH Buffer in Accelerating Lignin Degradation by Lignin Peroxidase

Binju Wang, Shishi Feng, Wenhan Fang, 2023, JACS Au.

Molecular Mechanisms of Oxygen Activation and Hydrogen Peroxide Formation in Lytic Polysaccharide Monooxygenases

C. Rovira, P. Walton, Binju Wang, 2019, ACS catalysis.

Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis

She Chen, Lin Li, Binju Wang, 2022, Cell Research.

Catalytic cycle of formate dehydrogenase captured by single-molecule conductance

B. Fang, Wenjing Hong, Binju Wang, 2023, Nature Catalysis.

Principles and Prospects of Spin‐States Reactivity in Chemistry and Bioinorganic Chemistry

S. Shaik, D. Usharani, Binju Wang, 2015 .

Efficient Catalysts for Green Synthesis of Adipic Acid from Biomass.

Qinghong Zhang, Ye Wang, Weiping Deng, 2020, Angewandte Chemie.

O-O Bond Formation and Oxygen Release in Photosystem II Are Enhanced by Spin-Exchange and Synergetic Coordination Interactions.

Binju Wang, Xitong Song, 2023, Journal of chemical theory and computation.

Spin-Regulated Inner-Sphere Electron Transfer Enables Efficient O—O Bond Activation in Nonheme Diiron Monooxygenase MIOX

Z. Cao, Binju Wang, Peng Wu, 2021 .

XLPFE: A Simple and Effective Machine Learning Scoring Function for Protein–Ligand Scoring and Ranking

Binju Wang, Xiaoyang Qu, Lina Dong, 2022, ACS omega.

Systematic Improvement of the Performance of Machine Learning Scoring Functions by Incorporating Features of Protein-Bound Water Molecules

Yubing Si, Binju Wang, Xiaoyang Qu, 2022, J. Chem. Inf. Model..

Prediction of Binding Free Energy of Protein–Ligand Complexes with a Hybrid Molecular Mechanics/Generalized Born Surface Area and Machine Learning Method

Binju Wang, Xiaoyang Qu, Yuan Zhao, 2021, ACS omega.

Unraveling the mechanism of latex clearing protein LcpK30 catalysed oxidative cleavage of poly(cis-1,4-isoprene)

Binju Wang, Peng Wu, Qianqian Chen, 2021 .

Proton-Shuttle-Assisted Heterolytic Carbon–Carbon Bond Cleavage and Formation

Ruibo Wu, Zexing Cao, Yirong Mo, 2015 .

Spin‐Regulated Electron Transfer and Exchange‐Enhanced Reactivity in Fe 4 S 4 ‐Mediated Redox Reaction of the Dph2 Enzyme During the Biosynthesis of Diphthamide

S. Shaik, Binju Wang, Jianqiang Feng, 2021, Angewandte Chemie.

Spin-regulated Electron Transfer and Exchange-enhanced Reactivity in Fe4S4-mediated Redox Reaction of the Dph2 Enzyme During the Biosynthesis of Diphthamide.

S. Shaik, Binju Wang, Jianqiang Feng, 2021, Angewandte Chemie.

H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450

S. Shaik, Yingang Feng, S. Dong, 2021, ACS Catalysis.

Switching an Artificial P450 Peroxygenase into Peroxidase via Mechanism-Guided Protein Engineering

Xiling Wang, Binju Wang, L. Jin, 2021, ACS Catalysis.

Evaluating the Transition State Stabilization/Destabilization Effects of the Electric Fields from Scaffold Residues by a QM/MM Approach.

Wei Peng, Binju Wang, Shengheng Yan, 2023, The journal of physical chemistry. B.

Zirconia-supported rhenium oxide as an efficient catalyst for the synthesis of biomass-based adipic acid ester.

Qinghong Zhang, Ye Wang, Weiping Deng, 2019, Chemical communications.

Engineering of a P450-based Kemp eliminase with a new mechanism

M. Reetz, Jian-Wen Huang, R. Guo, 2023, Chinese Journal of Catalysis.

Molecular Dynamics and QM/MM Calculations Predict the Substrate-Induced Gating of Cytochrome P450 BM3 and the Regio- and Stereoselectivity of Fatty Acid Hydroxylation.

Sason Shaik, Binju Wang, Kshatresh Dutta Dubey, 2016, Journal of the American Chemical Society.

Selective Chlorination of Substrates by the Halogenase SyrB2 Is Controlled by the Protein According to a Combined Quantum Mechanics/Molecular Mechanics and Molecular Dynamics Study

Wei Wu, S. Shaik, Binju Wang, 2016 .

Tracking the Delocalized Proton in Concerted Proton Transfer in Bulk Water.

Hai Lin, Binju Wang, Shengheng Yan, 2023, Journal of chemical theory and computation.

Molecular basis of enzymatic nitrogen-nitrogen formation by a family of zinc-binding cupin enzymes

Binju Wang, W. Peng, Yi‐Ling Du, 2021, Nature Communications.

Theory Uncovers the Role of the Methionine-Tyrosine-Tryptophan Radical Adduct in the Catalase Reaction of KatGs: O2 Release Mediated by Proton-Coupled Electron Transfer.

C. Rovira, Binju Wang, I. Fita, 2018, Chemistry.

MD simulations and QM/MM calculations show that single-site mutations of cytochrome P450BM3 alter the active site’s complexity and the chemoselectivity of oxidation without changing the active species

S. Shaik, K. Dubey, Binju Wang, 2017, Chemical science.

The FeIII ( H 2 O 2 ) Complex as a Highly E ffi cient Oxidant in Sulfoxidation Reactions : Revival of an Underrated Oxidant in Cytochrome P 450

S. Shaik, Binju Wang, Kyung‐Bin Cho, 2013 .

Mechanistic Insights into Radical-Induced Selective Oxidation of Methane over Nonmetallic Boron Nitride Catalysts.

Shuai Wang, Jingdong Lin, Shaolong Wan, 2023, Journal of the American Chemical Society.

Peroxo-Diiron(III/III) as the Reactive Intermediate for N-Hydroxylation Reactions in the Multidomain Metalloenzyme SznF: Evidence from Molecular Dynamics and Quantum Mechanical/Molecular Mechanical Calculations

Jia Liu, Binju Wang, Zikuan Wang, 2023, ACS Catalysis.

How the Conformational Movement of the Substrate Drives the Regioselective C-N Bond Formation in P450 TleB: Insights from Molecular Dynamics Simulations and Quantum Mechanical/Molecular Mechanical Calculations.

S. Shaik, Z. Cao, Binju Wang, 2023, Journal of the American Chemical Society.

The molecular mechanism of P450-catalyzed amination of the pyrrolidine derivative of lidocaine: insights from multiscale simulations

Binju Wang, Peng Wu, Zhanfeng Wang, 2021, RSC advances.

Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations.

S. Shaik, Z. Cao, C. Rovira, 2019, Journal of the American Chemical Society.

pH-dependent interaction mechanisms between β-lactoglobulin and EGCG: Insights from multi-spectroscopy and molecular dynamics simulation methods

Ruibo Wu, Z. Cao, Hujun Xie, 2022, Food Hydrocolloids.

Water Network-Augmented Two-State Model for Protein-Ligand Binding Affinity Prediction

Yubing Si, Binju Wang, Xiaoyang Qu, 2023, J. Chem. Inf. Model..

Palladium-Catalyzed Multicomponent Assembly of (Z)-Alkenylborons via Carbopalladation/Boronation/Retro-Diels-Alder Cascade Reaction.

Binju Wang, Yanhui Chen, Guolin Cheng, 2023, The Journal of organic chemistry.

Design of red-emitting 1D zinc coordination polymer for targeted drug delivery to nucleus

Qunhong Weng, Binju Wang, Shuo Xiang, 2023, Chemical Engineering Journal.

Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.

Binju Wang, Jiahai Zhou, Zhanfeng Wang, 2021, Angewandte Chemie.

Photoenzymatic enantioselective intermolecular radical hydroamination

Zhengyi Zhang, D. Zhong, Huimin Zhao, 2023, Nature Catalysis.

Conformational Change of H64 and Substrate Transportation: Insight Into a Full Picture of Enzymatic Hydration of CO2 by Carbonic Anhydrase

Z. Cao, Yuwei Zhang, Binju Wang, 2021, Frontiers in Chemistry.

QM/MM Studies of CYP11A1-Catalyzed Biosynthesis of Pregnenolone from Cholesterol Reveal a C-C Bond Cleavage Reaction that Occurs by a Cpd I-mediated Electron Transfer.

S. Shaik, Binju Wang, Hao Su, 2019, Journal of the American Chemical Society.

A mononuclear non-heme high-spin iron(III)-hydroperoxo complex as an active oxidant in sulfoxidation reactions.

S. Shaik, Binju Wang, Kyung‐Bin Cho, 2013, Journal of the American Chemical Society.

Quantum mechanical/molecular mechanical calculated reactivity networks reveal how cytochrome P450cam and Its T252A mutant select their oxidation pathways.

S. Shaik, K. Dubey, Binju Wang, 2015, Journal of the American Chemical Society.

Structural insights into thebaine synthase 2 catalysis.

T. Ko, Chun-Chi Chen, Jian-Wen Huang, 2020, Biochemical and biophysical research communications.

Mechanism of acid-catalyzed hydrolysis of formamide from cluster-continuum model calculations: concerted versus stepwise pathway.

Zexing Cao, Binju Wang, Z. Cao, 2010, The journal of physical chemistry. A.

Chemo- and Regioselective Dihydroxylation of Benzene to Hydroquinone Enabled by Engineered Cytochrome P450 Monooxygenase.

M. Reetz, Hangyu Zhou, Aitao Li, 2018, Angewandte Chemie.

Rapidly determining the 3D structure of proteins by surface-enhanced Raman spectroscopy

De‐Yin Wu, Binju Wang, Guangbao Yao, 2023, Science advances.

Photoenzymatic Conversion of Enamides to Enantioenriched Benzylic Amines Enabled by Visible-Light-Induced Single-Electron Reduction

Binju Wang, Xiaoqiang Huang, Bin Chen, 2023, ACS Catalysis.

Direct visible-light-excited flavoproteins for redox-neutral asymmetric radical hydroarylation

Binju Wang, Xiaoqiang Huang, Jianqiang Feng, 2023, Nature Catalysis.

Substrate Conformational Switch Enables the Stereoselective Dimerization in P450 NascB: Insights from Molecular Dynamics Simulations and Quantum Mechanical/Molecular Mechanical Calculations

Binju Wang, Jianqiang Feng, Shengying Li, 2024, JACS Au.

Electronic Structure and Reactivity of Mononuclear Nonheme Iron-Peroxo Complexes as a Biomimetic Model of Rieske Oxygenases: Ring Size Effects of Macrocyclic Ligands.

N. Lehnert, Binju Wang, Yong‐Min Lee, 2023, Journal of the American Chemical Society.

Conformational Isomerization of the Fe(III)–OH Species Enables Selective Halogenation in Carrier-Protein-Independent Halogenase BesD and Hydroxylase-Evolved Halogenase

Binju Wang, Xuan Zhang, Jinyan Zhang, 2024, ACS Catalysis.

A Robust Induced Fit Docking Approach with the Combination of the Hybrid All-Atom/United-Atom/Coarse-Grained Model and Simulated Annealing.

Binju Wang, Dexin Lu, Ding Luo, 2024, Journal of chemical theory and computation.

Unravelling an Efficient O2/Reductant-Dependent Catalytic Route in Heme Peroxygenases for Sustainable Applications

Yuben Qiao, Binju Wang, Xiaodong Zhang, 2024, bioRxiv.

Elucidating the Enzymatic Mechanism of Dihydrocoumarin Degradation: Insight into the Functional Evolution of Methyl-Parathion Hydrolase from QM/MM and MM MD Simulations.

Binju Wang, Fangfang Fan, Yuzhuang Fu, 2024, The journal of physical chemistry. B.

Oligo-Adenine and Cyanuric Acid Supramolecular DNA-Based Hydrogels Exhibiting Acid-Resistance and Physiological pH-Responsiveness.

Jason Y. C. Lim, I. Willner, Binju Wang, 2024, ACS applied materials & interfaces.

Deciphering Deoxynybomycin Biosynthesis Reveals Fe(II)/α-Ketoglutarate-Dependent Dioxygenase-Catalyzed Oxazoline Ring Formation and Decomposition.

Yiguang Zhu, Liping Zhang, Changsheng Zhang, 2023, Journal of the American Chemical Society.

Unraveling the Valence State and Reactivity of Copper Centers in Membrane-Bound Particulate Methane Monooxygenase.

Binju Wang, Shengheng Yan, Zikuan Wang, 2023, Journal of the American Chemical Society.

Local Electric Fields Drives the Proton-Coupled Electron Transfer within Cytochrome P450 Reductase

Binju Wang, Peng Wu, Shengheng Yan, 2024, ACS Catalysis.

cis-Dihydroxylation by Synthetic Iron(III)-Peroxo Intermediates and Rieske Dioxygenases: Experimental and Theoretical Approaches Reveal the Key O-O Bond Activation Step.

Binju Wang, W. Nam, Peng Wu, 2024, Journal of the American Chemical Society.