| scholarly article | Q13442814 |
| P50 | author | Rong-Zhen Liao | Q43216238 |
| P2093 | author name string | Per E M Siegbahn | |
| P2860 | cites work | Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane | Q22061879 |
| Mechanism of the Methane → Methanol Conversion Reaction Catalyzed by Methane Monooxygenase: A Density Functional Study | Q22061892 | ||
| Ring-cleaving dioxygenases with a cupin fold | Q24605922 | ||
| Bacterial phenylalanine and phenylacetate catabolic pathway revealed | Q24631173 | ||
| Structural and functional studies of the Escherichia coli phenylacetyl-CoA monooxygenase complex | Q24633982 | ||
| Density-functional thermochemistry. III. The role of exact exchange | Q25938987 | ||
| In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis | Q27650544 | ||
| Structural consequences of effector protein complex formation in a diiron hydroxylase | Q27652993 | ||
| Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase BoxB | Q27668120 | ||
| Remote control of regioselectivity in acyl-acyl carrier protein-desaturases | Q27674208 | ||
| Structure of a Dinuclear Iron Cluster-Containing β-Hydroxylase Active in Antibiotic Biosynthesis | Q27679813 | ||
| Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates | Q27683038 | ||
| Dioxygen Activation by Enzymes with Mononuclear Non-Heme Iron Active Sites | Q28201847 | ||
| Insights into the (superoxo)Fe(III)Fe(III) intermediate and reaction mechanism of myo-inositol oxygenase: DFT and ONIOM(DFT:MM) study | Q28265272 | ||
| Anaerobic metabolism of aromatic compounds | Q28305195 | ||
| Benzene Oxide-Oxepin Valence Tautomerism | Q29998872 | ||
| Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450. | Q30499595 | ||
| Functional and evolutionary relationships among diverse oxygenases | Q33972461 | ||
| Mechanistic studies on the hydroxylation of methane by methane monooxygenase. | Q34204600 | ||
| Quantum chemical studies of radical-containing enzymes | Q34204608 | ||
| New enzymes involved in aerobic benzoate metabolism in Azoarcus evansii | Q34354590 | ||
| Structure-function analysis of the bacterial aromatic ring-hydroxylating dioxygenases | Q34407705 | ||
| 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 | Q34975596 | ||
| Quantum chemical studies of intermediates and reaction pathways in selected enzymes and catalytic synthetic systems | Q35660854 | ||
| Bacterial degradation of aromatic pollutants: a paradigm of metabolic versatility | Q35922212 | ||
| Identification and characterization of the tungsten-containing class of benzoyl-coenzyme A reductases | Q37394426 | ||
| Substrate-triggered addition of dioxygen to the diferrous cofactor of aldehyde-deformylating oxygenase to form a diferric-peroxide intermediate | Q37407822 | ||
| Recent developments of the quantum chemical cluster approach for modeling enzyme reactions | Q37479261 | ||
| Oxygen cleavage with manganese and iron in ribonucleotide reductase from Chlamydia trachomatis | Q37851510 | ||
| Density functional theory study of the manganese-containing ribonucleotide reductase from Chlamydia trachomatis: why manganese is needed in the active complex | Q37855497 | ||
| The radical site in chlamydial ribonucleotide reductase defines a new R2 subclass | Q37866777 | ||
| Microbial degradation of aromatic compounds - from one strategy to four | Q37941366 | ||
| Anaerobic degradation of homocyclic aromatic compounds via arylcarboxyl-coenzyme A esters: organisms, strategies and key enzymes | Q38163110 | ||
| Quantum chemical studies of mechanisms for metalloenzymes. | Q38177326 | ||
| The activation strain model and molecular orbital theory: understanding and designing chemical reactions | Q38202017 | ||
| A DFT study of the cis-dihydroxylation of nitroaromatic compounds catalyzed by nitrobenzene dioxygenase | Q38569964 | ||
| Genetic characterization of the phenylacetyl-coenzyme A oxygenase from the aerobic phenylacetic acid degradation pathway of Escherichia coli | Q39107144 | ||
| Anaerobic degradation of aromatic compounds | Q39548242 | ||
| Di-iron-carboxylate proteins | Q41071949 | ||
| Quantum mechanics/molecular mechanics modeling of regioselectivity of drug metabolism in cytochrome P450 2C9. | Q41411804 | ||
| Coenzyme A-dependent aerobic metabolism of benzoate via epoxide formation | Q42045939 | ||
| An oxygenase that forms and deoxygenates toxic epoxide | Q42720736 | ||
| A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu | Q43084146 | ||
| Role of substrate positioning in the catalytic reaction of 4-hydroxyphenylpyruvate dioxygenase-A QM/MM Study. | Q43544202 | ||
| Is benzene oxide homoaromatic? A microcalorimetric study. | Q43768637 | ||
| A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome p450 enzymes. | Q44472290 | ||
| A theoretical study of the cis-dihydroxylation mechanism in naphthalene 1,2-dioxygenase | Q44813256 | ||
| QM/MM modeling of benzene hydroxylation in human cytochrome P450 2C9. | Q46406111 | ||
| Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase | Q46770438 | ||
| Determinants of regioselectivity and chemoselectivity in fosfomycin resistance protein FosA from QM/MM calculations | Q46876600 | ||
| Theoretical study of reaction mechanisms of OH radical with toluene 1,2-epoxide/2-methyloxepin | Q46877547 | ||
| Quantum chemical modeling of enzymatic reactions: the case of 4-oxalocrotonate tautomerase | Q46975606 | ||
| From oxygenase to sleep | Q48438352 | ||
| Analysis of the palladium-catalyzed (aromatic)C-H bond metalation-deprotonation mechanism spanning the entire spectrum of arenes. | Q51480128 | ||
| Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase. | Q51641685 | ||
| Theoretical reinvestigation of the O(3P) + C6H6 reaction: quantum chemical and statistical rate calculations. | Q51924533 | ||
| Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects. | Q52411029 | ||
| A fifth-order perturbation comparison of electron correlation theories | Q55981123 | ||
| The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun | Q57402104 | ||
| Reparameterization of hybrid functionals based on energy differences of states of different multiplicity | Q57905544 | ||
| Computational Enzymatic Catalysis | Q57991137 | ||
| Quantum Chemical Modeling of the Dehalogenation Reaction of Haloalcohol Dehalogenase | Q62556664 | ||
| O-O bond cleavage and alkane hydroxylation in methane monooxygenase | Q73470005 | ||
| The loss of carbon dioxide from activated perbenzoate anions in the gas phase: unimolecular rearrangement via epoxidation of the benzene ring | Q79199460 | ||
| Modeling enzymatic reactions involving transition metals | Q79247431 | ||
| A comparison of two-electron chemistry performed by the manganese and iron heterodimer and homodimers | Q82502714 | ||
| Quantum chemical modeling of enzymatic reactions: the case of histone lysine methyltransferase | Q82549346 | ||
| The directive of the protein: how does cytochrome P450 select the mechanism of dopamine formation? | Q84024688 | ||
| Trends in Aromatic Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes: A Valence Bond Modeling | Q86768916 | ||
| Quantum Chemical Modeling of Enzymatic Reactions: The Case of Decarboxylation | Q86813567 | ||
| Revised Basis Sets for the LANL Effective Core Potentials | Q86855879 | ||
| P433 | issue | 5 | |
| P304 | page(s) | 2754-2764 | |
| P577 | publication date | 2015-03-02 | |
| P1433 | published in | Chemical Science | Q2962267 |
| P1476 | title | Mechanism and selectivity of the dinuclear iron benzoyl-coenzyme A epoxidase BoxB. | |
| P478 | volume | 6 |
| Q48199641 | Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni-Dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor. |
| Q60938242 | Computational Understanding of the Selectivities in Metalloenzymes |
| Q48253776 | Direct Observation of an Oxepin from a Bacterial Cytochrome P450-Catalyzed Oxidation. |
| Q47856398 | Divalent ions are potential permeating blockers of the non-selective NaK ion channel: combined QM and MD based investigations |
| Q46250598 | Reaction mechanism of hydrogen evolution catalysed by Co and Fe complexes containing a tetra-dentate phosphine ligand - a DFT study |
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