Publications by authors named "Wen-Ge Han"

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Accuracy of cell-free Mycobacterium tuberculosis DNA testing in pleural effusion for diagnosing tuberculous pleurisy: a multicenter cross-sectional study.
Wei-Li Du, Jian-Qin Liang, Xin-Ting Yang, Cheng-Jun Li, Qing-Feng Wang, Wen-Ge Han, Na-Na Zhang

Mil Med Res· August 2024

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Transmission dynamics and phylogeography of Mycobacterium tuberculosis in China based on whole-genome phylogenetic analysis.
Yi-Fan Li, Yang Yang, Xiang-Long Kong, Wan-Mei Song, Ya-Meng Li, Wen-Ge Han

Int J Infect Dis· March 2024

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Mössbauer properties of the diferric cluster and the differential iron(II)-binding affinity of the iron sites in protein R2 of class Ia Escherichia coli ribonucleotide reductase: a DFT/electrostatics study.
Wen-Ge Han, Gregory M Sandala, Debra Ann Giammona, Donald Bashford, Louis Noodleman

Dalton Trans· November 2011

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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, Wen-Ge Han, Samuel Pazicni, James E Penner-Hahn, Kate S Carroll

Inorg Chem· July 2011

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DFT calculations for intermediate and active states of the diiron center with a tryptophan or tyrosine radical in Escherichia coli ribonucleotide reductase.
Wen-Ge Han, Louis Noodleman

Inorg Chem· March 2011

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Density functional theory analysis of structure, energetics, and spectroscopy for the Mn-Fe active site of Chlamydia trachomatis ribonucleotide reductase in four oxidation states.
Wen-Ge Han, Debra Ann Giammona, Donald Bashford, Louis Noodleman

Inorg Chem· August 2010

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Quantum cluster size and solvent polarity effects on the geometries and Mössbauer properties of the active site model for ribonucleotide reductase intermediate X: a density functional theory study.
Wen-Ge Han, Louis Noodleman

Theor Chem Acc· March 2010

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DFT calculations of comparative energetics and ENDOR/Mössbauer properties for two protonation states of the iron dimer cluster of ribonucleotide reductase intermediate X.
Wen-Ge Han, Louis Noodleman

Dalton Trans· August 2009

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Structural model studies for the peroxo intermediate P and the reaction pathway from P-->Q of methane monooxygenase using broken-symmetry density functional calculations.
Wen-Ge Han, Louis Noodleman

Inorg Chem· April 2008

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Structural Model Studies for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional Calculations.
Wen-Ge Han, Louis Noodleman

Inorganica Chim Acta· March 2008

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Experimental and DFT studies: novel structural modifications greatly enhance the solvent sensitivity of live cell imaging dyes.
Alexei Toutchkine, Wen-Ge Han, Matthias Ullmann, Tiqing Liu, Donald Bashford

J Phys Chem A· October 2007

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Density functional theory study of Fe(IV) d-d optical transitions in active-site models of class I ribonucleotide reductase intermediate X with vertical self-consistent reaction field methods.
Wen-Ge Han, Tiqing Liu, Timothy Lovell, Louis Noodleman

Inorg Chem· October 2006

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DFT calculations of 57Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: applications to methane monooxygenase and ribonucleotide reductase.
Wen-Ge Han, Tiqing Liu, Timothy Lovell, Louis Noodleman

J Comput Chem· September 2006

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Structure, redox, pKa, spin. A golden tetrad for understanding metalloenzyme energetics and reaction pathways.
Louis Noodleman, Wen-Ge Han

J Biol Inorg Chem· September 2006

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Seven clues to the origin and structure of class-I ribonucleotide reductase intermediate X.
Wen-Ge Han, Tiqing Liu, Timothy Lovell, Louis Noodleman

J Inorg Biochem· April 2006

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Active site structure of class I ribonucleotide reductase intermediate X: a density functional theory analysis of structure, energetics, and spectroscopy.
Wen-Ge Han, Tiqing Liu, Timothy Lovell, Louis Noodleman

J Am Chem Soc· November 2005

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Quantum chemical studies of intermediates and reaction pathways in selected enzymes and catalytic synthetic systems.
Louis Noodleman, Timothy Lovell, Wen-Ge Han, Jian Li, Fahmi Himo

Chem Rev· February 2004

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Density functional study of a micro-1,1-carboxylate bridged Fe(III)-O-Fe(IV) model complex. 2. Comparison with ribonucleotide reductase intermediate X.
Wen-Ge Han, Timothy Lovell, Tiqing Liu, Louis Noodleman

Inorg Chem· January 2004

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A theoretical study of the UV/visible absorption and emission solvatochromic properties of solvent-sensitive dyes.
Wen-Ge Han, Tiqing Liu, Fahmi Himo, Alexei Toutchkine, Donald Bashford

Chemphyschem· October 2003

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DFT calculations of isomer shifts and quadrupole splitting parameters in synthetic iron-oxo complexes: applications to methane monooxygenase and ribonucleotide reductase.
Tiqing Liu, Timothy Lovell, Wen-Ge Han, Louis Noodleman

Inorg Chem· August 2003

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Temperature-dependent behavior of protein-chromophore interactions: a theoretical study of a blue fluorescent antibody.
Freddie R Salsbury, Wen-Ge Han, Louis Noodleman, Charles L Brooks

Chemphyschem· August 2003

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A density functional evaluation of an Fe(III)-Fe(IV) model diiron cluster: comparisons with ribonucleotide reductase intermediate X.
Wen-Ge Han, Timothy Lovell, Tiqing Liu, Louis Noodleman

Inorg Chem· April 2003

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Metal substitution in the active site of nitrogenase MFe(7)S(9) (M = Mo(4+), V(3+), Fe(3+)).
Timothy Lovell, Rhonda A Torres, Wen-Ge Han, Tiqing Liu, David A Case

Inorg Chem· November 2002

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A structural model for the high-valent intermediate Q of methane monooxygenase from broken-symmetry density functional and electrostatics calculations.
Timothy Lovell, Wen-Ge Han, Tiqing Liu, Louis Noodleman

J Am Chem Soc· May 2002

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Density functional studies of the ground- and excited-state potential-energy curves of stilbene cis-trans isomerization.
Wen-Ge Han, Timothy Lovell, Tiqing Liu, Louis Noodleman

Chemphyschem· February 2002

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