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Circular RNA VMA21 ameliorates sepsis‐associated acute kidney injury by regulating miR‐9‐3p/SMG1/inflammation axis and oxidative stress

Journal of cellular and molecular medicine, 2020-10, Vol.24 (19), p.11397-11408

2020

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DFT Calculations for Mössbauer Properties on Dinuclear Center Models of the Resting Oxidized Cytochrome c Oxidase

Chemphyschem, 2022-04, Vol.23 (7), p.e202100831-n/a

2022

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Coupled transport of electrons and protons in a bacterial cytochrome c oxidase-DFT calculated properties compared to structures and spectroscopies

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.26652-26668

2020

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Identification of Biomarkers for Early Diagnosis of Acute Myocardial Infarction

Journal of cellular biochemistry, 2018-01, Vol.119 (1), p.650-658

2018

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Quantum Chemical Studies of Intermediates and Reaction Pathways in Selected Enzymes and Catalytic Synthetic Systems

Chemical reviews, 2004-02, Vol.104 (2), p.459-508

2004

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A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans

Journal of the American Chemical Society, 2015-06, Vol.137 (23), p.7404-7414

2015

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Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus

Inorganic chemistry, 2013-12, Vol.52 (24), p.14072-14088

2013

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DFT Fea3–O/O–O Vibrational Frequency Calculations over Catalytic Reaction Cycle States in the Dinuclear Center of Cytochrome c Oxidase

Inorganic chemistry, 2019-10, Vol.58 (20), p.13933-13944

2019

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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

Inorganic chemistry, 2014-07, Vol.53 (13), p.6458-6472

2014

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Reaction pathways, proton transfer, and proton pumping in ba3 class cytochrome c oxidase: perspectives from DFT quantum chemistry and molecular dynamics

Frontiers in chemistry, 2023, Vol.11, p.1186022-1186022

2023

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Water exit pathways and proton pumping mechanism in B-type cytochrome c oxidase from molecular dynamics simulations

Biochimica et biophysica acta, 2016-09, Vol.1857 (9), p.1594-1606

2016

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Transmission dynamics and phylogeography of Mycobacterium tuberculosis in China based on whole-genome phylogenetic analysis

International journal of infectious diseases, 2024-03, Vol.140, p.124-131

2024

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Process planning and contour-based error compensation for precision grinding of miniature scalpels

Advances in manufacturing, 2024-03, Vol.12 (1), p.108-123

2024

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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

Inorganic chemistry, 2008-04, Vol.47 (8), p.2975-2986

2008

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Sulfur [18F]Fluoride Exchange Click Chemistry Enabled Ultrafast Late-Stage Radiosynthesis

Journal of the American Chemical Society, 2021-03, Vol.143 (10), p.3753-3763

2021

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Structural model studies for the high-valent intermediate Q of methane monooxygenase from broken-symmetry density functional calculations

Inorganica Chimica Acta, 2008-03, Vol.361 (4), p.973-986

2008

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A broken-symmetry density functional study of structures, energies, and protonation states along the catalytic O-O bond cleavage pathway in ba3 cytochrome c oxidase from Thermus thermophilus

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (31), p.21162-21171

2016

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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

Dalton transactions : an international journal of inorganic chemistry, 2009-01 (30), p.6045-6057

2009

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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

Theoretical chemistry accounts, 2010-03, Vol.125 (3-6), p.305-317

2010

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Theoretical Study of Aqueous N-Acetyl-l-alanine N‘-Methylamide: Structures and Raman, VCD, and ROA Spectra

The journal of physical chemistry. B, 1998-04, Vol.102 (14), p.2587-2602

1998

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Data for molecular dynamics simulations of B-type cytochrome c oxidase with the Amber force field

Data in brief, 2016-09, Vol.8, p.1209-1214

2016

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A Theoretical Study of the UV/Visible Absorption and Emission Solvatochromic Properties of Solvent-Sensitive Dyes

Chemphyschem, 2003-10, Vol.4 (10), p.1084-1094

2003

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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

Inorganic chemistry, 2011-03, Vol.50 (6), p.2302-2320

2011

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Structure, redox, pKa, spin. A golden tetrad for understanding metalloenzyme energetics and reaction pathways

Journal of biological inorganic chemistry, 2006-09, Vol.11 (6), p.674-694

2006

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A Structural Model for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional and Electrostatics Calculations

Journal of the American Chemical Society, 2002-05, Vol.124 (20), p.5890-5894

2002

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Circular RNA VMA21 ameliorates sepsis‐associated acute kidney injury by regulating miR‐9‐3p/SMG1/inflammation axis and oxidative stress

DFT Calculations for Mössbauer Properties on Dinuclear Center Models of the Resting Oxidized Cytochrome c Oxidase

Coupled transport of electrons and protons in a bacterial cytochrome c oxidase-DFT calculated properties compared to structures and spectroscopies

Identification of Biomarkers for Early Diagnosis of Acute Myocardial Infarction

Quantum Chemical Studies of Intermediates and Reaction Pathways in Selected Enzymes and Catalytic Synthetic Systems

A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans

Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus

DFT Fea3–O/O–O Vibrational Frequency Calculations over Catalytic Reaction Cycle States in the Dinuclear Center of Cytochrome c Oxidase

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

Reaction pathways, proton transfer, and proton pumping in ba3 class cytochrome c oxidase: perspectives from DFT quantum chemistry and molecular dynamics

Water exit pathways and proton pumping mechanism in B-type cytochrome c oxidase from molecular dynamics simulations

Transmission dynamics and phylogeography of Mycobacterium tuberculosis in China based on whole-genome phylogenetic analysis

Process planning and contour-based error compensation for precision grinding of miniature scalpels

Structural Model Studies for the Peroxo Intermediate P and the Reaction Pathway from P → Q of Methane Monooxygenase Using Broken-Symmetry Density Functional Calculations

Sulfur [18F]Fluoride Exchange Click Chemistry Enabled Ultrafast Late-Stage Radiosynthesis

Structural model studies for the high-valent intermediate Q of methane monooxygenase from broken-symmetry density functional calculations

A broken-symmetry density functional study of structures, energies, and protonation states along the catalytic O-O bond cleavage pathway in ba3 cytochrome c oxidase from Thermus thermophilus

DFT calculations of comparative energetics and ENDOR/Mössbauer properties for two protonation states of the iron dimer cluster of ribonucleotide reductase intermediate X

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

Theoretical Study of Aqueous N-Acetyl-l-alanine N‘-Methylamide: Structures and Raman, VCD, and ROA Spectra

Data for molecular dynamics simulations of B-type cytochrome c oxidase with the Amber force field

A Theoretical Study of the UV/Visible Absorption and Emission Solvatochromic Properties of Solvent-Sensitive Dyes

DFT Calculations for Intermediate and Active States of the Diiron Center with a Tryptophan or Tyrosine Radical in Escherichia coli Ribonucleotide Reductase

Structure, redox, pKa, spin. A golden tetrad for understanding metalloenzyme energetics and reaction pathways

A Structural Model for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional and Electrostatics Calculations

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