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Louis Noodleman · SciRah

Researcher profile · Semantic Scholar

Louis Noodleman

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Louis Noodleman — researcher profile on SciRah

h-index: 50
Works: 158
Citations: 12K

Most-cited papers

Copper(I)-catalyzed synthesis of azoles. DFT study predicts unprecedented reactivity and intermediates.
F. Himo, Timothy Lovell, Robert Hilgraf, V. Rostovtsev +3 more
2004Journal of the American Chemical Society1,506 citations Open access
Semantic Scholar
Why is tetrazole formation by addition of azide to organic nitriles catalyzed by zinc(II) salts?
F. Himo, Z. Demko, Louis Noodleman, K. Sharpless
2003Journal of the American Chemical Society300 citations
Semantic Scholar
Quantum chemical studies of intermediates and reaction pathways in selected enzymes and catalytic synthetic systems.
Louis Noodleman, Timothy Lovell, W. Han, Jian Li +1 more
2004Chemical Reviews294 citations
Semantic Scholar
Mechanisms of tetrazole formation by addition of azide to nitriles.
F. Himo, Z. Demko, Louis Noodleman, K. Sharpless
2002Journal of the American Chemical Society280 citations
Semantic Scholar
Density functional and reduction potential calculations of Fe4S4 clusters.
Rhonda A. Torres, Timothy Lovell, Louis Noodleman, D. Case
2003Journal of the American Chemical Society181 citations
Semantic Scholar
Calculating the electron paramagnetic resonance parameters of exchange coupled transition metal complexes using broken symmetry density functional theory: application to a MnIII/MnIV model compound.
Sebastian Sinnecker, F. Neese, Louis Noodleman, W. Lubitz
2004Journal of the American Chemical Society158 citations
Semantic Scholar
FeMo cofactor of nitrogenase: a density functional study of states M(N), M(OX), M(R), and M(I).
Timothy Lovell, J. Li, Ti-Qing Liu, D. Case +1 more
2001Journal of the American Chemical Society139 citations
Semantic Scholar
Structural, spectroscopic, and redox consequences of a central ligand in the FeMoco of nitrogenase: a density functional theoretical study.
Timothy Lovell, Ti-Qing Liu, D. Case, Louis Noodleman
2003Journal of the American Chemical Society104 citations
Semantic Scholar
Density functional calculation of pKa values and redox potentials in the bovine Rieske iron-sulfur protein
M. Ullmann, Louis Noodleman, D. Case
2002JBIC Journal of Biological Inorganic Chemistry100 citations
Semantic Scholar
Insights into properties and energetics of iron-sulfur proteins from simple clusters to nitrogenase.
Louis Noodleman, Timothy Lovell, Ti-Qing Liu, F. Himo +1 more
2002Current Opinion in Chemical Biology94 citations
Semantic Scholar
Sulfur [18F]Fluoride Exchange Click Chemistry Enabled Ultrafast Late-stage Radiosynthesis
Qinheng Zheng, Hong-Tao Xu, Hua Wang, Wen-Ge Han Du +7 more
2021Journal of the American Chemical Society93 citations Open access
Semantic Scholar
Density functional methods applied to metalloenzymes
Timothy Lovell, F. Himo, W. Han, Louis Noodleman
200390 citations
Semantic Scholar
A theoretical study of the UV/visible absorption and emission solvatochromic properties of solvent-sensitive dyes.
W. Han, Ti-Qing Liu, F. Himo, A. Toutchkine +3 more
2003ChemPhysChem89 citations
Semantic Scholar
A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans
Aleksandra Baranczak, Yu Liu, S. Connelly, Wen-Ge Han Du +11 more
2015Journal of the American Chemical Society83 citations Open access
Semantic Scholar
Testing if the interstitial atom, X, of the nitrogenase molybdenum-iron cofactor is N or C: ENDOR, ESEEM, and DFT studies of the S = 3/2 resting state in multiple environments.
D. Lukoyanov, Vladimir Pelmenschikov, Nathan K Maeser, M. Laryukhin +6 more
2007Inorganic Chemistry78 citations
Semantic Scholar
Structure, redox, pKa, spin. A golden tetrad for understanding metalloenzyme energetics and reaction pathways
Louis Noodleman, W. Han
2006JBIC Journal of Biological Inorganic Chemistry73 citations
Semantic Scholar
Calibration of DFT Functionals for the Prediction of 57Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential
G. Sandala, K. H. Hopmann, Abhik Ghosh, Louis Noodleman
2011Journal of Chemical Theory and Computation69 citations Open access
Semantic Scholar
Density functional studies of the ground- and excited-state potential-energy curves of stilbene cis-trans isomerization.
W. Han, Timothy Lovell, Ti-Qing Liu, Louis Noodleman
2002ChemPhysChem62 citations
Semantic Scholar
Toward a chemical mechanism of proton pumping by the B-type cytochrome c oxidases: Application of Density Functional Theory to cytochrome ba3 of Thermus thermophilus
J. Fee, D. Case, Louis Noodleman
2008Journal of the American Chemical Society60 citations Open access
Semantic Scholar
A structural model for the high-valent intermediate Q of methane monooxygenase from broken-symmetry density functional and electrostatics calculations.
Timothy Lovell, W. Han, Ti-Qing Liu, Louis Noodleman
2002Journal of the American Chemical Society59 citations
Semantic Scholar
Symmetry and bonding in metalloporphyrins. A modern implementation for the bonding analyses of five- and six-coordinate high-spin iron(III)-porphyrin complexes through density functional calculation and NMR spectroscopy.
Ru-Jen Cheng, Ping Chen, Timothy Lovell, Ti-Qing Liu +2 more
2003Journal of the American Chemical Society57 citations
Semantic Scholar
Nornicotine aqueous aldol reactions: synthetic and theoretical investigations into the origins of catalysis.
T. Dickerson, Timothy Lovell, M. Meijler, Louis Noodleman +1 more
2004Journal of Organic Chemistry56 citations
Semantic Scholar
DFT calculations of 57Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: Applications to methane monooxygenase and ribonucleotide reductase
W. Han, Ti-Qing Liu, Timothy Lovell, Louis Noodleman
2006Journal of Computational Chemistry53 citations Open access
Semantic Scholar
Density functional theory calculations on Mössbauer parameters of nonheme iron nitrosyls.
K. H. Hopmann, Abhik Ghosh, Louis Noodleman
2009Inorganic Chemistry52 citations Open access
Semantic Scholar
Coupled redox potentials in manganese and iron superoxide dismutases from reaction kinetics and density functional/electrostatics calculations.
W. Han, Timothy Lovell, Louis Noodleman
2002Inorganic Chemistry52 citations
Semantic Scholar
Density Functional Vertical Self-Consistent Reaction Field Theory for Solvatochromism Studies of Solvent-Sensitive Dyes
Ti-Qing Liu, W. Han, F. Himo, G. Ullmann +4 more
200451 citations Open access
Semantic Scholar
Structural Model Studies for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional Calculations.
W. Han, Louis Noodleman
2008Inorganica Chimica Acta50 citations Open access
Semantic Scholar
Active site structure of class I ribonucleotide reductase intermediate X: a density functional theory analysis of structure, energetics, and spectroscopy.
W. Han, Ti-Qing Liu, Timothy Lovell, Louis Noodleman
2005Journal of the American Chemical Society50 citations
Semantic Scholar
Structural model studies for the peroxo intermediate P and the reaction pathway from P-->Q of methane monooxygenase using broken-symmetry density functional calculations.
W. Han, Louis Noodleman
2008Inorganic Chemistry49 citations Open access
Semantic Scholar
Ligand-bound S = 1/2 FeMo-cofactor of nitrogenase: hyperfine interaction analysis and implication for the central ligand X identity.
Vladimir Pelmenschikov, D. Case, Louis Noodleman
2008Inorganic Chemistry49 citations Open access
Semantic Scholar
Density Functional and Electrostatic Calculations of Manganese Superoxide Dismutase Active Site Complexes in Protein Environments.
Jian Li, C. Fisher, R. Konecny, D. Bashford +1 more
1999Inorganic Chemistry47 citations
Semantic Scholar
Modeling of palmitate transport in the heart
J. Bassingthwaighte, Louis Noodleman, G. Vusse, J. Glatz
2004Molecular and Cellular Biochemistry42 citations Open access
Semantic Scholar
Photoisomerization and proton transfer in photoactive yellow protein.
M. J. Thompson, D. Bashford, Louis Noodleman, E. Getzoff
2003Journal of the American Chemical Society42 citations
Semantic Scholar
DFT calculations of isomer shifts and quadrupole splitting parameters in synthetic iron-oxo complexes: applications to methane monooxygenase and ribonucleotide reductase.
Ti-Qing Liu, Timothy Lovell, W. Han, Louis Noodleman
2003Inorganic Chemistry40 citations
Semantic Scholar
Metal substitution in the active site of nitrogenase MFe7S9 (M = Mo4+, V3+, Fe3+)
Timothy Lovell, Rhonda A. Torres, W. Han, Ti-Qing Liu +2 more
200240 citations
Semantic Scholar
FeMo cofactor of nitrogenase: energetics and local interactions in the protein environment
Timothy Lovell, Jian Li, D. Case, Louis Noodleman
2002JBIC Journal of Biological Inorganic Chemistry37 citations
Semantic Scholar
Linking Chemical Electron–Proton Transfer to Proton Pumping in Cytochrome c Oxidase: Broken-Symmetry DFT Exploration of Intermediates along the Catalytic Reaction Pathway of the Iron–Copper Dinuclear Complex
Louis Noodleman, Wen-Ge Han Du, J. Fee, A. Götz +1 more
2014Inorganic Chemistry35 citations Open access
Semantic Scholar
Theoretical examination of Mg(2+)-mediated hydrolysis of a phosphodiester linkage as proposed for the hammerhead ribozyme.
Rhonda A. Torres, F. Himo, T. C. Bruice, Louis Noodleman +1 more
2003Journal of the American Chemical Society34 citations
Semantic Scholar
Spin Coupling in Roussin’s Red and Black Salts
K. H. Hopmann, Louis Noodleman, Abhik Ghosh
2010Chemistry32 citations Open access
Semantic Scholar
Density functional study of the mechanism of a tyrosine phosphatase: I. Intermediate formation.
D. Asthagiri, V. Dillet, Ti-Qing Liu, Louis Noodleman +2 more
2002Journal of the American Chemical Society31 citations
Semantic Scholar
A density functional evaluation of an Fe(III)-Fe(IV) model diiron cluster: comparisons with ribonucleotide reductase intermediate X.
W. Han, Timothy Lovell, Ti-Qing Liu, Louis Noodleman
2003Inorganic Chemistry30 citations
Semantic Scholar
Binding modes for the first coupled electron and proton addition to FeMoco of nitrogenase.
Timothy Lovell, Jian Li, D. Case, Louis Noodleman
2002Journal of the American Chemical Society30 citations
Semantic Scholar
Density Functional Theory Analysis of Structure, Energetics, and Spectroscopy for the Mn-Fe Active Site of Chlamydia trachomatis Ribonucleotide Reductase in Four Oxidation States
W. Han, D. A. Giammona, D. Bashford, Louis Noodleman
2010Inorganic Chemistry29 citations Open access
Semantic Scholar
Density functional theory study of the intramolecular [2 + 3] cycloaddition of azide to nitriles.
F. Himo, Z. Demko, Louis Noodleman
2003Journal of Organic Chemistry28 citations
Semantic Scholar
Relative Acidities of Ortho-Substituted Phenols, as Models for Modified Tyrosines in Proteins
F. Himo, Louis Noodleman, M. Blomberg, P. Siegbahn
200227 citations
Semantic Scholar
A Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5´-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy
Devayani P. Bhave, W. Han, Samuel Pazicni, J. Penner-Hahn +2 more
2011Inorganic Chemistry25 citations Open access
Semantic Scholar
DFT Calculations for Intermediate and Active States of the Diiron Center with Tryptophan or Tyrosine Radical in Escherichia coli Ribonucleotide Reductase
W. Han, Louis Noodleman
2011Inorganic Chemistry25 citations Open access
Semantic Scholar
Seven clues to the origin and structure of class-I ribonucleotide reductase intermediate X.
W. Han, Ti-Qing Liu, Timothy Lovell, Louis Noodleman
2006Journal of Inorganic Biochemistry24 citations
Semantic Scholar
Stereoelectronic Effects in Stabilizing Protein–N-Glycan Interactions Revealed by Experiment and Machine Learning
Maziar S. Ardejani, Louis Noodleman, E. Powers, J. Kelly
2021Nature Chemistry23 citations Open access
Semantic Scholar
DFT Calculations of Comparative Energetics and ENDOR/Mössbauer Properties for Two Protonation States of the Iron Dimer Cluster of Ribonucleotide Reductase Intermediate X
W. Han, Louis Noodleman
2009Dalton Transactions23 citations Open access
Semantic Scholar

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