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Structural effects of spike protein D614G mutation in SARS-CoV-2

Biophysical journal, 2023-07, Vol.122 (14), p.2910-2920

2023

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The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein

eLife, 2022-03, Vol.11

2022

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Unraveling the Coupling between Conformational Changes and Ligand Binding in Ribose Binding Protein Using Multiscale Molecular Dynamics and Free-Energy Calculations

The journal of physical chemistry. B, 2021-03, Vol.125 (11), p.2898-2909

2021

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Similarities and Differences between Thymine(6–4)Thymine/Cytosine DNA Lesion Repairs by Photolyases

The journal of physical chemistry. B, 2018-09, Vol.122 (36), p.8537-8547

2018

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Computational Assignment of the Histidine Protonation State in (6-4) Photolyase Enzyme and Its Effect on the Protonation Step

ACS catalysis, 2016-08, Vol.6 (8), p.5500-5507

2016

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Elucidation of interactions regulating conformational stability and dynamics of SARS-CoV-2 S-protein

Biophysical journal, 2021-03, Vol.120 (6), p.1060-1071

2021

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Pseudo-Luciferase Activity of the SARS-CoV‑2 Spike Protein for Cypridina Luciferin

ACS central science, 2024-02, Vol.10 (2), p.283-290

2024

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Functional Conversion of CPD and (6–4) Photolyases by Mutation

Biochemistry (Easton), 2016-08, Vol.55 (30), p.4173-4183

2016

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Electron Fate and Mutational Robustness in the Mechanism of (6-4)Photolyase-Mediated DNA Repair

ACS catalysis, 2017-07, Vol.7 (7), p.4835-4845

2017

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Unraveling SARS-CoV-2 spike protein activation pathway reveals unprecedented cryptic pockets

Biophysical journal, 2022-02, Vol.121 (3), p.457a-457a

2022

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Chaperonin GroEL hydrolyses ortho -nitrophenyl β-galactoside

Organic & biomolecular chemistry, 2023-08, Vol.21 (30), p.6120-6123

2023

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A Sulfonium Cation Intermediate in the Mechanism of Methionine Sulfoxide Reductase B: A DFT Study

The journal of physical chemistry. B, 2011-07, Vol.115 (29), p.9202-9212

2011

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Computational investigations on the catalytic mechanism of maleate isomerase: the role of the active site cysteine residues

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (24), p.12462-12474

2014

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Caging Bioactive Triarylimidazoles: An Approach to Create Visible Light-Activatable Drugs

Journal of the American Chemical Society, 2024-07, Vol.146 (26), p.18002-18010

2024

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A Pseudohypervalent Sulfur Intermediate as an Oxidative Protective Mechanism in the Archaea Peroxiredoxin Enzyme ApTPx

The journal of physical chemistry. B, 2017-07, Vol.121 (27), p.6570-6579

2017

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A SIMULATION OF THE TURBULENCE RESPONSE OF HEAT EXCHANGER TUBES IN LATTICE-BAR SUPPORTS

Journal of fluids and structures, 2002-12, Vol.16 (8), p.1145-1176

2002

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Formation of a Stable Iminol Intermediate in the Redox Regulation Mechanism of Protein Tyrosine Phosphatase 1B (PTP1B)

ACS catalysis, 2015-04, Vol.5 (4), p.2195-2202

2015

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A new tube/support impact model for heat exchanger tubes

Journal of fluids and structures, 2005-12, Vol.21 (5), p.561-577

2005

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A Molecular Dynamics and Quantum Mechanics/Molecular Mechanics Study of the Catalytic Reductase Mechanism of Methionine Sulfoxide Reductase A: Formation and Reduction of a Sulfenic Acid

Biochemistry (Easton), 2013-03, Vol.52 (10), p.1814-1827

2013

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The effects of support geometry on the turbulence response of loosely supported heat exchanger tubes

Journal of fluids and structures, 2003-11, Vol.18 (5), p.529-554

2003

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A survey of direct time-integration methods in computational structural dynamics—I. Explicit methods

Computers & structures, 1989, Vol.32 (6), p.1371-1386

1989

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Reply to the “Comment on 'A Sulfonium Cation Intermediate in the Mechanism of Methionine Sulfoxide Reductase B: A DFT Study’”

The journal of physical chemistry. B, 2011-09, Vol.115 (36), p.10776-10777

2011

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Chaperonin GroEL hydrolyses -nitrophenyl β-galactoside

Organic & biomolecular chemistry, 2023-08, Vol.21 (3), p.612-6123

2023

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A survey of direct time-integration methods in computational structural dynamics—II. Implicit methods

Computers & structures, 1989, Vol.32 (6), p.1387-1401

1989

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Numerical simulation of leaflet flexure in bioprosthetic valves mounted on rigid and expansile stents

Journal of biomechanics, 1993-08, Vol.26 (8), p.929-943

1993

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Structural effects of spike protein D614G mutation in SARS-CoV-2

The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein

Unraveling the Coupling between Conformational Changes and Ligand Binding in Ribose Binding Protein Using Multiscale Molecular Dynamics and Free-Energy Calculations

Similarities and Differences between Thymine(6–4)Thymine/Cytosine DNA Lesion Repairs by Photolyases

Computational Assignment of the Histidine Protonation State in (6-4) Photolyase Enzyme and Its Effect on the Protonation Step

Elucidation of interactions regulating conformational stability and dynamics of SARS-CoV-2 S-protein

Pseudo-Luciferase Activity of the SARS-CoV‑2 Spike Protein for Cypridina Luciferin

Functional Conversion of CPD and (6–4) Photolyases by Mutation

Electron Fate and Mutational Robustness in the Mechanism of (6-4)Photolyase-Mediated DNA Repair

Unraveling SARS-CoV-2 spike protein activation pathway reveals unprecedented cryptic pockets

Chaperonin GroEL hydrolyses ortho -nitrophenyl β-galactoside

A Sulfonium Cation Intermediate in the Mechanism of Methionine Sulfoxide Reductase B: A DFT Study

Computational investigations on the catalytic mechanism of maleate isomerase: the role of the active site cysteine residues

Caging Bioactive Triarylimidazoles: An Approach to Create Visible Light-Activatable Drugs

A Pseudohypervalent Sulfur Intermediate as an Oxidative Protective Mechanism in the Archaea Peroxiredoxin Enzyme ApTPx

A SIMULATION OF THE TURBULENCE RESPONSE OF HEAT EXCHANGER TUBES IN LATTICE-BAR SUPPORTS

Formation of a Stable Iminol Intermediate in the Redox Regulation Mechanism of Protein Tyrosine Phosphatase 1B (PTP1B)

A new tube/support impact model for heat exchanger tubes

A Molecular Dynamics and Quantum Mechanics/Molecular Mechanics Study of the Catalytic Reductase Mechanism of Methionine Sulfoxide Reductase A: Formation and Reduction of a Sulfenic Acid

The effects of support geometry on the turbulence response of loosely supported heat exchanger tubes

A survey of direct time-integration methods in computational structural dynamics—I. Explicit methods

Reply to the “Comment on 'A Sulfonium Cation Intermediate in the Mechanism of Methionine Sulfoxide Reductase B: A DFT Study’”

Chaperonin GroEL hydrolyses -nitrophenyl β-galactoside

A survey of direct time-integration methods in computational structural dynamics—II. Implicit methods

Numerical simulation of leaflet flexure in bioprosthetic valves mounted on rigid and expansile stents

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