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Impact of Thiol–Disulfide Balance on the Binding of Covid-19 Spike Protein with Angiotensin-Converting Enzyme 2 Receptor

ACS omega, 2020-07, Vol.5 (26), p.16292-16298

2020

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Role of Oxidative Stress on SARS-CoV (SARS) and SARS-CoV-2 (COVID-19) Infection: A Review

The Protein Journal, 2020-12, Vol.39 (6), p.644-656

2020

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Combined Quantum Mechanical and Molecular Mechanical Simulations of One- and Two-Electron Reduction Potentials of Flavin Cofactor in Water, Medium-Chain Acyl-CoA Dehydrogenase, and Cholesterol Oxidase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (26), p.5729-5742

2007

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Insights into the Mechanism of Tryptophan Fluorescence Quenching due to Synthetic Crowding Agents: A Combined Experimental and Computational Study

ACS omega, 2023-11, Vol.8 (47), p.44820-44830

2023

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Effects of Distal Mutations on Prolyl-Adenylate Formation of Escherichia coli Prolyl-tRNA Synthetase

The Protein Journal, 2020-10, Vol.39 (5), p.542-553

2020

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Pre-Existing Oxidative Stress Creates a Docking-Ready Conformation of the SARS-CoV‑2 Receptor-Binding Domain

ACS bio & med chem au, 2022-02, Vol.2 (1), p.84-93

2022

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Writing a literature review as a class project in an upper‐level undergraduate biochemistry course

Biochemistry and molecular biology education, 2024-05, Vol.52 (3), p.311-316

2024

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Evolutionary Basis for the Coupled-domain Motions in Thermus thermophilus Leucyl-tRNA Synthetase

The Journal of biological chemistry, 2009-04, Vol.284 (15), p.10088-10099

2009

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Strictly Conserved Lysine of Prolyl-tRNA Synthetase Editing Domain Facilitates Binding and Positioning of Misacylated tRNAPro

Biochemistry (Easton), 2014-02, Vol.53 (6), p.1059-1068

2014

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Incorporating modeling and simulations in undergraduate biophysical chemistry course to promote understanding of structure‐dynamics‐function relationships in proteins

Biochemistry and molecular biology education, 2016-03, Vol.44 (2), p.140-159

2016

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Polyethylene Glycol Impacts Conformation and Dynamics of Escherichia coli Prolyl-tRNA Synthetase Via Crowding and Confinement Effects

Biochemistry (Easton), 2024-07, Vol.63 (13), p.1621-1635

2024

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Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase

Biophysical journal, 2019-10, Vol.117 (7), p.1269-1284

2019

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Synthesis, Characterization, and Reactivity of Mononuclear O,N-Chelated Vanadium(IV) and -(III) Complexes of Methyl 2-Aminocyclopent-1-ene-1-dithiocarboxylate Based Ligand: Reporting an Example of Conformational Isomerism in the Solid State

Inorganic chemistry, 2002-05, Vol.41 (9), p.2433-2440

2002

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High-performance computing in undergraduate education at primarily undergraduate institutions in Wisconsin: Progress, challenges, and opportunities

Education and information technologies, 2024-03

2024

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Cyclic Changes in Active Site Polarization and Dynamics Drive the “Ping-pong” Kinetics in NRH:Quinone Oxidoreductase 2: An Insight from QM/MM Simulations

ACS catalysis, 2018-12, Vol.8 (12), p.12015-12029

2018

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Editing Domain Motions Preorganize the Synthetic Active Site of Prolyl-tRNA Synthetase

ACS catalysis, 2020-09, Vol.10 (17), p.10229-10242

2020

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Effect of Stacking Interactions on the Thermodynamics and Kinetics of Lumiflavin: A Study with Improved Density Functionals and Density Functional Tight-Binding Protocol

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-01, Vol.119 (1), p.172-182

2015

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Probing the global and local dynamics of aminoacyl-tRNA synthetases using all-atom and coarse-grained simulations

Journal of molecular modeling, 2014-05, Vol.20 (5), p.2245-2245, Article 2245

2014

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Polyethylene Glycol 20k. Does It Fluoresce?

ACS omega, 2023-04, Vol.8 (15), p.14208-14218

2023

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Strictly conserved lysine of prolyl-tRNA Synthetase editing domain facilitates binding and positioning of misacylated tRNA(Pro.)

Biochemistry (Easton), 2014-02, Vol.53 (6), p.1059

2014

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Interplay of Flavin’s Redox States and Protein Dynamics: An Insight from QM/MM Simulations of Dihydronicotinamide Riboside Quinone Oxidoreductase 2

The journal of physical chemistry. B, 2011-04, Vol.115 (13), p.3632-3641

2011

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Theoretical Determination of the Redox Potentials of NRH:Quinone Oxidoreductase 2 Using Quantum Mechanical/Molecular Mechanical Simulations

The journal of physical chemistry. B, 2009-06, Vol.113 (23), p.8149-8157

2009

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Strictly Conserved Lysine of Prolyl-tRNA Synthetase Editing Domain Facilitates Binding and Positioning of Misacylated tRNA Pro

Biochemistry (Easton), 2014-02, Vol.53 (6), p.1059-1068

2014

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Impact of Thiol–Disulfide Balance on the Binding of Covid-19 Spike Protein with Angiotensin-Converting Enzyme 2 Receptor

Role of Oxidative Stress on SARS-CoV (SARS) and SARS-CoV-2 (COVID-19) Infection: A Review

Vitamin D and COVID‐19: A review on the role of vitamin D in preventing and reducing the severity of COVID‐19 infection

Combined Quantum Mechanical and Molecular Mechanical Simulations of One- and Two-Electron Reduction Potentials of Flavin Cofactor in Water, Medium-Chain Acyl-CoA Dehydrogenase, and Cholesterol Oxidase

Insights into the Mechanism of Tryptophan Fluorescence Quenching due to Synthetic Crowding Agents: A Combined Experimental and Computational Study

Effects of Distal Mutations on Prolyl-Adenylate Formation of Escherichia coli Prolyl-tRNA Synthetase

Pre-Existing Oxidative Stress Creates a Docking-Ready Conformation of the SARS-CoV‑2 Receptor-Binding Domain

Writing a literature review as a class project in an upper‐level undergraduate biochemistry course

Evolutionary Basis for the Coupled-domain Motions in Thermus thermophilus Leucyl-tRNA Synthetase

Strictly Conserved Lysine of Prolyl-tRNA Synthetase Editing Domain Facilitates Binding and Positioning of Misacylated tRNAPro

Incorporating modeling and simulations in undergraduate biophysical chemistry course to promote understanding of structure‐dynamics‐function relationships in proteins

Polyethylene Glycol Impacts Conformation and Dynamics of Escherichia coli Prolyl-tRNA Synthetase Via Crowding and Confinement Effects

Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase

Synthesis, Characterization, and Reactivity of Mononuclear O,N-Chelated Vanadium(IV) and -(III) Complexes of Methyl 2-Aminocyclopent-1-ene-1-dithiocarboxylate Based Ligand: Reporting an Example of Conformational Isomerism in the Solid State

High-performance computing in undergraduate education at primarily undergraduate institutions in Wisconsin: Progress, challenges, and opportunities

Cyclic Changes in Active Site Polarization and Dynamics Drive the “Ping-pong” Kinetics in NRH:Quinone Oxidoreductase 2: An Insight from QM/MM Simulations

Editing Domain Motions Preorganize the Synthetic Active Site of Prolyl-tRNA Synthetase

Effect of Stacking Interactions on the Thermodynamics and Kinetics of Lumiflavin: A Study with Improved Density Functionals and Density Functional Tight-Binding Protocol

Evolution of Stronger SARS-CoV-2 Variants as Revealed Through the Lens of Molecular Dynamics Simulations

Probing the global and local dynamics of aminoacyl-tRNA synthetases using all-atom and coarse-grained simulations

Polyethylene Glycol 20k. Does It Fluoresce?

Strictly conserved lysine of prolyl-tRNA Synthetase editing domain facilitates binding and positioning of misacylated tRNA(Pro.)

Interplay of Flavin’s Redox States and Protein Dynamics: An Insight from QM/MM Simulations of Dihydronicotinamide Riboside Quinone Oxidoreductase 2

Theoretical Determination of the Redox Potentials of NRH:Quinone Oxidoreductase 2 Using Quantum Mechanical/Molecular Mechanical Simulations

Strictly Conserved Lysine of Prolyl-tRNA Synthetase Editing Domain Facilitates Binding and Positioning of Misacylated tRNA Pro

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