On the public citation graph

Why Is the Oxidation State of Iron Crucial for the Activity of Heme-Dependent Aldoxime Dehydratase? A QM/MM Study

0 signed · 135 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1521-3773(20020816)41:16<2983::aid-anie2983>3.0.co;2-xopenalex-snapshot
Rhenium(VII) Oxo Complexes as Extremely Active Catalysts in the Dehydration of Primary Amides and Aldoximes to Nitriles
inferredcites →https://doi.org/10.1002/adsc.200404059openalex-snapshot
An Efficient and Improved Method for the Preparation of Nitriles from Primary Amides and Aldoximes†
inferredcites →https://doi.org/10.1002/anie.200602799openalex-snapshot
A Tosylimido Analogue of a Nonheme Oxoiron(IV) Complex
inferredcites →https://doi.org/10.1002/anie.200605004openalex-snapshot
A Tungsten–Tin Mixed Hydroxide as an Efficient Heterogeneous Catalyst for Dehydration of Aldoximes to Nitriles
inferredcites →https://doi.org/10.1002/asia.200800253openalex-snapshot
Density Functional Studies on Thromboxane Biosynthesis: Mechanism and Role of the Heme‐Thiolate System
inferredcites →https://doi.org/10.1002/cbic.200600261openalex-snapshot
Systematic Regulation of the Enzymatic Activity of Phenylacetaldoxime Dehydratase by Exogenous Ligands
inferredcites →https://doi.org/10.1002/chem.200802550openalex-snapshot
Density Functional Studies on Isomerization of Prostaglandin H2 to Prostacyclin Catalyzed by Cytochrome P450
inferredcites →https://doi.org/10.1002/ejic.200701137openalex-snapshot
Theoretical Investigation of the Second‐Shell Mechanism of Nitrile Hydratase
inferredcites →https://doi.org/10.1002/jcc.20495openalex-snapshot
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
inferredcites →https://doi.org/10.1002/jcc.540040211openalex-snapshot
CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
inferredcites →https://doi.org/10.1002/jcc.540070402openalex-snapshot
An algorithm for the location of transition states
inferredcites →https://doi.org/10.1002/jps.2600510213openalex-snapshot
Stability of Pyridine-2-aldoxime Methiodide II
inferredcites →https://doi.org/10.1002/wcms.13openalex-snapshot
The quantum chemical cluster approach for modeling enzyme reactions
inferredcites →https://doi.org/10.1007/s00253-005-0044-4openalex-snapshot
Molecular and enzymatic analysis of the “aldoxime–nitrile pathway” in the glutaronitrile degrader Pseudomonas sp. K-9
inferredcites →https://doi.org/10.1007/s00775-009-0511-yopenalex-snapshot
Recent developments of the quantum chemical cluster approach for modeling enzyme reactions
inferredcites →https://doi.org/10.1007/s00775-010-0739-6openalex-snapshot
Substrate binding and activation in the active site of cytochrome c nitrite reductase: a density functional study
inferredcites →https://doi.org/10.1016/0009-2614(89)85118-8openalex-snapshot
Electronic structure calculations on workstation computers: The program system turbomole
inferredcites →https://doi.org/10.1016/j.abb.2010.07.016openalex-snapshot
The reaction mechanism of allene oxide synthase: Interplay of theoretical QM/MM calculations and experimental investigations
inferredcites →https://doi.org/10.1016/j.febslet.2004.05.008openalex-snapshot
Heme environment in aldoxime dehydratase involved in carbon–nitrogen triple bond synthesis
inferredcites →https://doi.org/10.1016/j.febslet.2005.01.037openalex-snapshot
Stopped‐flow spectrophotometric and resonance Raman analyses of aldoxime dehydratase involved in carbon–nitrogen triple bond synthesis
inferredcites →https://doi.org/10.1016/j.jinorgbio.2005.12.006openalex-snapshot
Spectroscopic and substrate binding properties of heme-containing aldoxime dehydratases, OxdB and OxdRE
inferredcites →https://doi.org/10.1016/j.micromeso.2004.10.009openalex-snapshot
Solid acid-catalyzed dehydration/Beckmann rearrangement of aldoximes: towards high atom efficiency green processes
inferredcites →https://doi.org/10.1016/j.phytochem.2010.10.002openalex-snapshot
Indolyl-3-acetaldoxime dehydratase from the phytopathogenic fungus Sclerotinia sclerotiorum: Purification, characterization, and substrate specificity
inferredcites →https://doi.org/10.1016/s0166-1280(00)00571-6openalex-snapshot
Ab initio and DFT studies on structure and stability of aliphatic aldoxime molecules
inferredcites →https://doi.org/10.1016/s0166-1280(03)00285-9openalex-snapshot
QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
inferredcites →https://doi.org/10.1016/s0263-7855(96)00043-4openalex-snapshot
DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
inferredcites →https://doi.org/10.1016/s0968-0896(03)00241-4openalex-snapshot
Probing crucial metabolic pathways in fungal pathogens of crucifers: biotransformation of indole-3-acetaldoxime, 4-hydroxyphenylacetaldoxime, and their metabolites
inferredcites →https://doi.org/10.1016/s1381-1177(98)00080-0openalex-snapshot
A new enzymatic method of nitrile synthesis by Rhodococcus sp. strain YH3-3
inferredcites →https://doi.org/10.1016/s1389-1723(04)70200-5openalex-snapshot
Aldoxime Dehydratase Co-existing with Nitrile Hydratase and Amidase in the Iron-Type Nitrile Hydratase-Producer Rhodococcus sp. N-771
inferredcites →https://doi.org/10.1021/ar600042copenalex-snapshot
Reactivity of High-Valent Iron–Oxo Species in Enzymes and Synthetic Reagents: A Tale of Many States
inferredcites →https://doi.org/10.1021/ar990028jopenalex-snapshot
Two-State Reactivity as a New Concept in Organometallic Chemistry
inferredcites →https://doi.org/10.1021/bi00191a008openalex-snapshot
Dehydration of Alkyl- and Arylaldoximes as a New Cytochrome P450-Catalyzed Reaction: Mechanism and Stereochemical Characteristics
inferredcites →https://doi.org/10.1021/bi010561iopenalex-snapshot
N-Hydroxyguanidines as New Heme Ligands: UV−Visible, EPR, and Resonance Raman Studies of the Interaction of Various Compounds Bearing a CNOH Function with Microperoxidase-8
inferredcites →https://doi.org/10.1021/bi035092uopenalex-snapshot
A Gene Cluster Responsible for Alkylaldoxime Metabolism Coexisting with Nitrile Hydratase and Amidase in Rhodococcus globerulus A-4,
inferredcites →https://doi.org/10.1021/bi952365fopenalex-snapshot
The Structure−Function Relationship and Reduction Potentials of High Oxidation States of Myoglobin and Peroxidase
inferredcites →https://doi.org/10.1021/bi9608976openalex-snapshot
Electrostatic Modification of the Active Site of Myoglobin: Characterization of the Proximal Ser92Asp Variant
inferredcites →https://doi.org/10.1021/bi991598uopenalex-snapshot
Novel Heme-Containing Lyase, Phenylacetaldoxime Dehydratase from Bacillus sp. Strain OxB-1: Purification, Characterization, and Molecular Cloning of the Gene,
inferredcites →https://doi.org/10.1021/cr000080popenalex-snapshot
Solid-State Structures of Metalloporphyrin NOxCompounds
inferredcites →https://doi.org/10.1021/cr00081a015openalex-snapshot
Cytochrome P-450 and chloroperoxidase: thiolate-ligated heme enzymes. Spectroscopic determination of their active-site structures and mechanistic implications of thiolate ligation
inferredcites →https://doi.org/10.1021/cr0307143openalex-snapshot
Structure and Chemistry of Cytochrome P450
inferredcites →https://doi.org/10.1021/cr030722jopenalex-snapshot
Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
inferredcites →https://doi.org/10.1021/cr900121sopenalex-snapshot
P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
inferredcites →https://doi.org/10.1021/cr9500500openalex-snapshot
Heme-Containing Oxygenases
inferredcites →https://doi.org/10.1021/cr980390wopenalex-snapshot
Transition-Metal Systems in Biochemistry Studied by High-Accuracy Quantum Chemical Methods
inferredcites →https://doi.org/10.1021/ct100578zopenalex-snapshot
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical p K a Predictions
inferredcites →https://doi.org/10.1021/ct3000684openalex-snapshot
Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene Hydratase
inferredcites →https://doi.org/10.1021/ct8000409openalex-snapshot
Revised Basis Sets for the LANL Effective Core Potentials
inferredcites →https://doi.org/10.1021/ic070023fopenalex-snapshot
Electronic Structure of Ferric Heme Nitrosyl Complexes with Thiolate Coordination
inferredcites →https://doi.org/10.1021/ic200073vopenalex-snapshot
Naked Five-Coordinate FeIII(NO) Porphyrin Complexes: Vibrational and Reactivity Features
inferredcites →https://doi.org/10.1021/ic8020244openalex-snapshot
Mechanism of the Iron-Mediated Alkene Aziridination Reaction: Experimental and Computational Investigations
inferredcites →https://doi.org/10.1021/ic901897wopenalex-snapshot
Electronic Structure of an Iron-Porphyrin−Nitrene Complex
inferredcites →https://doi.org/10.1021/j100377a021openalex-snapshot
Reaction path following in mass-weighted internal coordinates
inferredcites →https://doi.org/10.1021/ja010276mopenalex-snapshot
Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins
inferredcites →https://doi.org/10.1021/ja0171963openalex-snapshot
Searching for the Second Oxidant in the Catalytic Cycle of Cytochrome P450: A Theoretical Investigation of the Iron(III)-Hydroperoxo Species and Its Epoxidation Pathways
inferredcites →https://doi.org/10.1021/ja0206487openalex-snapshot
Mechanism of the Six-Electron Reduction of Nitrite to Ammonia by CytochromecNitrite Reductase
inferredcites →https://doi.org/10.1021/ja030645+openalex-snapshot
Structural, Spectroscopic, and Computational Study of an Octahedral, Non-Heme {Fe−NO}6-8 Series: [Fe(NO)(cyclam-ac)]2+/+/0
inferredcites →https://doi.org/10.1021/ja034142fopenalex-snapshot
A Proton-Shuttle Mechanism Mediated by the Porphyrin in Benzene Hydroxylation by Cytochrome P450 Enzymes
inferredcites →https://doi.org/10.1021/ja036123bopenalex-snapshot
Cytochrome P450CAM Enzymatic Catalysis Cycle: A Quantum Mechanics/Molecular Mechanics Study
inferredcites →https://doi.org/10.1021/ja0453073openalex-snapshot
Ground-State Singlet L 3 Fe-(μ-N)-FeL 3 and L 3 Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers
inferredcites →https://doi.org/10.1021/ja046942bopenalex-snapshot
Five-Coordinate Fe III NO and Fe II CO Porphyrinates: Where Are the Electrons and Why Does It Matter?
inferredcites →https://doi.org/10.1021/ja051912+openalex-snapshot
Water-Assisted Oxo Mechanism for Heme Metabolism
inferredcites →https://doi.org/10.1021/ja052111+openalex-snapshot
The “Somersault” Mechanism for the P-450 Hydroxylation of Hydrocarbons. The Intervention of Transient Inverted Metastable Hydroperoxides
inferredcites →https://doi.org/10.1021/ja057165yopenalex-snapshot
Synthesis and Hydrogenation of Bis(imino)pyridine Iron Imides
inferredcites →https://doi.org/10.1021/ja063439lopenalex-snapshot
QM/MM Study of Mechanisms for Compound I Formation in the Catalytic Cycle of Cytochrome P450cam
inferredcites →https://doi.org/10.1021/ja066662ropenalex-snapshot
Compound I of Nitric Oxide Synthase: The Active Site Protonation State
inferredcites →https://doi.org/10.1021/ja072650+openalex-snapshot
A Density Functional Theory Investigation on the Mechanism of the Second Half-Reaction of Nitric Oxide Synthase
inferredcites →https://doi.org/10.1021/ja076679popenalex-snapshot
Quantum Mechanical/Molecular Mechanical Study of Mechanisms of Heme Degradation by the Enzyme Heme Oxygenase: The Strategic Function of the Water Cluster
inferredcites →https://doi.org/10.1021/ja103530vopenalex-snapshot
ONIOM Study on a Missing Piece in Our Understanding of Heme Chemistry: Bacterial Tryptophan 2,3-Dioxygenase with Dual Oxidants
inferredcites →https://doi.org/10.1021/ja104674qopenalex-snapshot
Enzymatic Ring-Opening Mechanism of Verdoheme by the Heme Oxygenase: A Combined X-ray Crystallography and QM/MM Study
inferredcites →https://doi.org/10.1021/ja107514fopenalex-snapshot
Theoretical Study on the Mechanism of the Oxygen Activation Process in Cysteine Dioxygenase Enzymes
inferredcites →https://doi.org/10.1021/ja110066jopenalex-snapshot
Catalytic C−H Bond Amination from High-Spin Iron Imido Complexes
inferredcites →https://doi.org/10.1021/ja111376nopenalex-snapshot
Can Ferric-Superoxide Act as a Potential Oxidant in P450cam? QM/MM Investigation of Hydroxylation, Epoxidation, and Sulfoxidation
inferredcites →https://doi.org/10.1021/ja201665xopenalex-snapshot
The Directive of the Protein: How Does Cytochrome P450 Select the Mechanism of Dopamine Formation?
inferredcites →https://doi.org/10.1021/ja2103839openalex-snapshot
Quantum Mechanical/Molecular Mechanical Study on the Mechanism of the Enzymatic Baeyer–Villiger Reaction
inferredcites →https://doi.org/10.1021/ja211905eopenalex-snapshot
A Single-Site Mutation (F429H) Converts the Enzyme CYP 2B4 into a Heme Oxygenase: A QM/MM Study
inferredcites →https://doi.org/10.1021/ja801860uopenalex-snapshot
Electronic Structure of Six-Coordinate Iron(III)−Porphyrin NO Adducts: The Elusive Iron(III)−NO(radical) State and Its Influence on the Properties of These Complexes
inferredcites →https://doi.org/10.1021/ja803107wopenalex-snapshot
Density Functional Theory Study on a Missing Piece in Understanding of Heme Chemistry: The Reaction Mechanism for Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase
inferredcites →https://doi.org/10.1021/ja808744kopenalex-snapshot
How is the Reactivity of Cytochrome P450cam Affected by Thr252X Mutation? A QM/MM Study for X = Serine, Valine, Alanine, Glycine
inferredcites →https://doi.org/10.1021/ja906233mopenalex-snapshot
New Light on NO Bonding in Fe(III) Heme Proteins from Resonance Raman Spectroscopy and DFT Modeling
inferredcites →https://doi.org/10.1021/ja981805yopenalex-snapshot
New Catalytic Properties of Iron Porphyrins: Model Systems for Cytochrome P450-Catalyzed Dehydration of Aldoximes
inferredcites →https://doi.org/10.1021/ja991997copenalex-snapshot
Reaction Mechanism of Compound I Formation in Heme Peroxidases: A Density Functional Theory Study
inferredcites →https://doi.org/10.1021/ja992373+openalex-snapshot
Models of Nitric Oxide Synthase: Iron(III) Porphyrin-Catalyzed Oxidation of Fluorenone Oxime to Nitric Oxide and Fluorenone
inferredcites →https://doi.org/10.1021/jo900100vopenalex-snapshot
A Simple Synthesis of Nitriles from Aldoximes
inferredcites →https://doi.org/10.1021/jp048807ropenalex-snapshot
QM−MM Study of Nitrite Reduction by Nitrite Reductase of Pseudomonas aeruginosa
inferredcites →https://doi.org/10.1021/jp049596topenalex-snapshot
The Resting State of P450cam: A QM/MM Study
inferredcites →https://doi.org/10.1021/jp054754hopenalex-snapshot
New Features in the Catalytic Cycle of Cytochrome P450 during the Formation of Compound I from Compound 0
inferredcites →https://doi.org/10.1021/jp205944eopenalex-snapshot
Aldoxime Dehydratase: Probing the Heme Environment Involved in the Synthesis of the Carbon–Nitrogen Triple Bond
inferredcites →https://doi.org/10.1021/jp302114dopenalex-snapshot
QM/MM Study on the Catalytic Mechanism of Heme-Containing Aliphatic Aldoxime Dehydratase
inferredcites →https://doi.org/10.1021/jp810292nopenalex-snapshot
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
inferredcites →https://doi.org/10.1021/jp973084fopenalex-snapshot
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
inferredcites →https://doi.org/10.1021/jz101279nopenalex-snapshot
Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions
inferredcites →https://doi.org/10.1021/ol0168768openalex-snapshot
Highly Efficient and Catalytic Conversion of Aldoximes to Nitriles
inferredcites →https://doi.org/10.1021/ol0260977openalex-snapshot
[RuCl2(p-cymene)]2 on Carbon: An Efficient, Selective, Reusable, and Environmentally Versatile Heterogeneous Catalyst
inferredcites →https://doi.org/10.1039/b508541aopenalex-snapshot
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
inferredcites →https://doi.org/10.1063/1.456010openalex-snapshot
An improved algorithm for reaction path following
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1073/pnas.0505412103openalex-snapshot
Discovery of a reaction intermediate of aliphatic aldoxime dehydratase involving heme as an active center
inferredcites →https://doi.org/10.1074/jbc.m109.018762openalex-snapshot
X-ray Crystal Structure of Michaelis Complex of Aldoxime Dehydratase
inferredcites →https://doi.org/10.1074/jbc.m201913200openalex-snapshot
Nitric-oxide Reductase
inferredcites →https://doi.org/10.1074/jbc.m211832200openalex-snapshot
Novel Aldoxime Dehydratase Involved in Carbon-Nitrogen Triple Bond Synthesis of Pseudomonas chlororaphis B23
inferredcites →https://doi.org/10.1074/jbc.m407223200openalex-snapshot
Identification of Crucial Histidines Involved in Carbon-Nitrogen Triple Bond Synthesis by Aldoxime Dehydratase
inferredcites →https://doi.org/10.1074/jbc.m410474200openalex-snapshot
Regulation of Aldoxime Dehydratase Activity by Redox-dependent Change in the Coordination Structure of the Aldoxime-Heme Complex
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1111/j.1574-6968.1998.tb12818.xopenalex-snapshot
Z-phenylacetaldoxime degradation by a novel aldoxime dehydratase fromBacillussp. strain OxB-1
inferredcites →https://doi.org/10.1128/aem.66.6.2290-2296.2000openalex-snapshot
Distribution of Aldoxime Dehydratase in Microorganisms
inferredcites →https://doi.org/10.1271/bbb.65.2666openalex-snapshot
High Yield Synthesis of Nitriles by a New Enzyme, Phenylacetaldoxime Dehydratase, from Bacillus sp. Strain OxB-1
inferredcites →https://doi.org/10.1271/bbb.69.2254openalex-snapshot
Purification and Characterization of Aldoxime Dehydratase of the Head Blight Fungus,Fusarium graminearum

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4793602openalex-extracted
Heme-Feii and Heme-Feiii – Role of Histidine Residue
inferred← citeshttps://doi.org/10.2139/ssrn.4807567openalex-extracted
Heme-Feii and Heme-Feiii – Role of Histidine Residue
inferred← citeshttps://doi.org/10.1002/asia.201600085openalex-snapshot
Iron‐Catalyzed Dehydration of Aldoximes to Nitriles Requiring Neither Other Reagents Nor Nitrile Media
inferred← citeshttps://doi.org/10.1002/cbic.201500653openalex-snapshot
Toluene Dioxygenase‐Catalysed Oxidation of Benzyl Azide to Benzonitrile: Mechanistic Insights for an Unprecedented Enzymatic Transformation
inferred← citeshttps://doi.org/10.1002/cbic.201600596openalex-snapshot
Kemp Elimination Catalyzed by Naturally Occurring Aldoxime Dehydratases
inferred← citeshttps://doi.org/10.1002/cbic.201700571openalex-snapshot
Biocatalytic Synthesis of Nitriles through Dehydration of Aldoximes: The Substrate Scope of Aldoxime Dehydratases
inferred← citeshttps://doi.org/10.1002/cctc.201402612openalex-snapshot
Cyanide‐free Enantioselective Synthesis of Nitriles: Synthetic Proof of a Biocatalytic Concept and Mechanistic Insights
inferred← citeshttps://doi.org/10.1002/jcc.23403openalex-snapshot
Convergence in the QM‐only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase
inferred← citeshttps://doi.org/10.1007/s00214-017-2079-xopenalex-snapshot
Theoretical study of the catalytic mechanism of glyoxylate carboligase and its mutant V51E
inferred← citeshttps://doi.org/10.1007/s12039-014-0751-4openalex-snapshot
Efficient iron(III) porphyrins-catalyzed oxidation of guanidoximes to cyanamides in ionic liquids
inferred← citeshttps://doi.org/10.1016/b978-0-444-63743-7.00009-3openalex-snapshot
Enzymes in the Aldoxime–Nitrile Pathway
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2026.113466openalex-snapshot
Intramolecular H-bonding interaction between a bound aldoxime ligand and a porphyrin-N atom of a synthetic cobalt porphyrin
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c01093openalex-snapshot
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01386openalex-snapshot
Bifunctional Naphthoquinone Aromatic Amide-Oxime Derivatives Exert Combined Immunotherapeutic and Antitumor Effects through Simultaneous Targeting of Indoleamine-2,3-dioxygenase and Signal Transducer and Activator of Transcription 3
inferred← citeshttps://doi.org/10.1021/acs.joc.2c01122openalex-snapshot
Bioinspired Iron-Catalyzed Dehydration of Aldoximes to Nitriles: A General N–O Redox-Cleavage Method
inferred← citeshttps://doi.org/10.1021/acscatal.0c02215openalex-snapshot
Are Heme-Dependent Enzymes Always Using a Redox Mechanism? A Theoretical Study of the Kemp Elimination Catalyzed by a Promiscuous Aldoxime Dehydratase
inferred← citeshttps://doi.org/10.1021/acscatal.1c01502openalex-snapshot
A Key Piece in the Global N-Cycle: The N–N Bond Formation Presented by Heme-Dependent Hydrazine Synthase
inferred← citeshttps://doi.org/10.1021/jp5003885openalex-snapshot
Quantum Mechanics/Molecular Mechanics Study of Oxygen Binding in Hemocyanin
inferred← citeshttps://doi.org/10.1038/s41467-018-07434-0openalex-snapshot
Biocatalytic production of adiponitrile and related aliphatic linear α,ω-dinitriles
inferred← citeshttps://doi.org/10.1038/s41929-024-01280-8openalex-snapshot
Structure and mechanism of haem-dependent nitrogen–nitrogen bond formation in piperazate synthase
inferred← citeshttps://doi.org/10.1039/c6cy02553fopenalex-snapshot
Cleavage mechanism of the aliphatic C–C bond catalyzed by 2,4′-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP: a QM/MM study
inferred← citeshttps://doi.org/10.1039/d0gc01445aopenalex-snapshot
Biocatalytic asymmetric ring-opening of dihydroisoxazoles: a cyanide-free route to complementary enantiomers of β-hydroxy nitriles from olefins
inferred← citeshttps://doi.org/10.1039/d5cs00342copenalex-snapshot
Nitrogen-centered radicals driving unusual enzyme reactions in biosynthetic pathways
inferred← citeshttps://doi.org/10.1063/1.4858462openalex-snapshot
Electronic structure and reactivity in water splitting of the iron oxide dimers and their hexacarbonyls: A density functional study
inferred← citeshttps://doi.org/10.1101/2023.12.15.571702openalex-snapshot
Structural and mechanistic views of enzymatic, heme-dependent nitrogen-nitrogen bond formation
inferred← citeshttps://doi.org/10.1371/journal.pone.0175846openalex-snapshot
New function of aldoxime dehydratase: Redox catalysis and the formation of an expected product
inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-tn7cqopenalex-snapshot
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification
inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-tn7cq-v2openalex-snapshot
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.