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Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity

Journal of chemical information and modeling, 2020-01, Vol.60 (1), p.204-211

2020

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Improving ligand‐ranking of AutoDock Vina by changing the empirical parameters

Journal of computational chemistry, 2022-01, Vol.43 (3), p.160-169

2022

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How do the doping concentrations of N and B in graphene modify the water adsorption?

RSC advances, 2021-06, Vol.11 (32), p.1956-19568

2021

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Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations

RSC advances, 2020-08, Vol.1 (53), p.31991-31996

2020

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Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite

Energy & environmental science, 2016-01, Vol.9 (3), p.15-162

2016

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Assessing potential inhibitors of SARS-CoV-2 main protease from available drugs using free energy perturbation simulations

RSC advances, 2020-11, Vol.1 (66), p.4284-429

2020

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Tungsten-doped titanium-dioxide-supported low-Pt-loading electrocatalysts for the oxidation reaction of ethanol in acidic fuel cells

Comptes rendus. Chimie, 2019-11, Vol.22 (11-12), p.829-837

2019

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Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro

RSC advances, 2021-01, Vol.11 (5), p.2926-2934

2021

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Thermodynamics and kinetics in antibody resistance of the 501Y.V2 SARS-CoV-2 variant

RSC advances, 2021-10, Vol.11 (53), p.33438-33446

2021

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Effects of environmental factors and synthesis conditions on the photocatalytic activity of titanate nanotubes for removal of gaseous formaldehyde

Research on chemical intermediates, 2020-11, Vol.46 (11), p.4793-4809

2020

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Oversampling Free Energy Perturbation Simulation in Determination of the Ligand‐Binding Free Energy

Journal of computational chemistry, 2020-03, Vol.41 (7), p.611-618

2020

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Amplification Ratio of a Recycled Plastics-Compliant Mechanism Flexure Hinge

Applied sciences, 2023-12, Vol.13 (23), p.12825

2023

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Homo-condensation of acetophenones toward imidazothiones

RSC advances, 2020-11, Vol.1 (66), p.4225-4228

2020

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Local Structure and Chemistry of C‐Doped ZnO@C Core–Shell Nanostructures with Room‐Temperature Ferromagnetism

Advanced functional materials, 2018-02, Vol.28 (8), p.n/a

2018

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Highly Efficient Removal of 2,4,5-Trichlorophenoxyacetic Acid by Adsorption and Photocatalysis Using Nanomaterials with Surface Coating by the Cationic Surfactant

Langmuir, 2024-07, Vol.40 (26), p.13573-13582

2024

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Cytotoxic and α‐Glucosidase Inhibitory Xanthones from Garcinia mckeaniana Leaves and Molecular Docking Study

Chemistry & biodiversity, 2021-11, Vol.18 (11), p.e2100396-n/a

2021

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Cellulose Conversion to 5 Hydroxymethyl Furfural (5-HMF) Using Al-Incorporated SBA-15 as Highly Efficient Catalyst

Journal of chemistry, 2019, Vol.2019, p.1-8

2019

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Removal of Acid Orange G Azo Dye by Polycation‐Modified Alpha Alumina Nanoparticles

Chemistry, an Asian journal, 2023-09, Vol.18 (17), p.e202300404-n/a

2023

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A comparison of water-gas shift reaction on ZnO [Formula: see text] surface and 6Cu cluster deposited over ZnO [Formula: see text] surface using density functional theory studies

Journal of molecular modeling, 2022-04, Vol.28 (4), p.84-84

2022

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Copper‐mediated annulation of 2‐aminoacetophenones and 2‐bromopyridines

Vietnam journal of chemistry, 2022-04, Vol.60 (2), p.164-168

2022

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Chemical Profile and Biological Activities of Fungal Strains Isolated from Piper nigrum Roots: Experimental and Computational Approaches

Chemistry & biodiversity, 2023-02, Vol.20 (2), p.e202200456-n/a

2023

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Optimizing the catalytic activity of PtRuM (M = Fe, Co, Ni) nanoparticles on mesoporous carbon Vulcan–multiwalled carbon nanotubes support for direct methanol fuel cells by controlling third-metal type and content

Research on chemical intermediates, 2023-09, Vol.49 (9), p.3987-4007

2023

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Adaptive Network Based Fuzzy Inference System with Meta-Heuristic Optimizations for International Roughness Index Prediction

Applied sciences, 2019-11, Vol.9 (21), p.4715

2019

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Antioxidative and α-glucosidase inhibitory constituents of Polyscias guilfoylei: experimental and computational assessments

Molecular diversity, 2022-02, Vol.26 (1), p.229-243

2022

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Toxicity of ciprofloxacin and ofloxacin to Moina macrocopa and investigation of p-value adjustments for (eco)toxicological studies

Drug and chemical toxicology (New York, N.Y. 1978), 2023-07, Vol.ahead-of-print (ahead-of-print), p.1-12

2023

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Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity

Improving ligand‐ranking of AutoDock Vina by changing the empirical parameters

How do the doping concentrations of N and B in graphene modify the water adsorption?

Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations

Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite

Assessing potential inhibitors of SARS-CoV-2 main protease from available drugs using free energy perturbation simulations

Tungsten-doped titanium-dioxide-supported low-Pt-loading electrocatalysts for the oxidation reaction of ethanol in acidic fuel cells

Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro

Thermodynamics and kinetics in antibody resistance of the 501Y.V2 SARS-CoV-2 variant

Effects of environmental factors and synthesis conditions on the photocatalytic activity of titanate nanotubes for removal of gaseous formaldehyde

Oversampling Free Energy Perturbation Simulation in Determination of the Ligand‐Binding Free Energy

Amplification Ratio of a Recycled Plastics-Compliant Mechanism Flexure Hinge

Homo-condensation of acetophenones toward imidazothiones

Local Structure and Chemistry of C‐Doped ZnO@C Core–Shell Nanostructures with Room‐Temperature Ferromagnetism

Highly Efficient Removal of 2,4,5-Trichlorophenoxyacetic Acid by Adsorption and Photocatalysis Using Nanomaterials with Surface Coating by the Cationic Surfactant

Cytotoxic and α‐Glucosidase Inhibitory Xanthones from Garcinia mckeaniana Leaves and Molecular Docking Study

Cellulose Conversion to 5 Hydroxymethyl Furfural (5-HMF) Using Al-Incorporated SBA-15 as Highly Efficient Catalyst

Removal of Acid Orange G Azo Dye by Polycation‐Modified Alpha Alumina Nanoparticles

A comparison of water-gas shift reaction on ZnO [Formula: see text] surface and 6Cu cluster deposited over ZnO [Formula: see text] surface using density functional theory studies

Copper‐mediated annulation of 2‐aminoacetophenones and 2‐bromopyridines

Chemical Profile and Biological Activities of Fungal Strains Isolated from Piper nigrum Roots: Experimental and Computational Approaches

Optimizing the catalytic activity of PtRuM (M = Fe, Co, Ni) nanoparticles on mesoporous carbon Vulcan–multiwalled carbon nanotubes support for direct methanol fuel cells by controlling third-metal type and content

Adaptive Network Based Fuzzy Inference System with Meta-Heuristic Optimizations for International Roughness Index Prediction

Antioxidative and α-glucosidase inhibitory constituents of Polyscias guilfoylei: experimental and computational assessments

Toxicity of ciprofloxacin and ofloxacin to Moina macrocopa and investigation of p-value adjustments for (eco)toxicological studies

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