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Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study
Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study
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Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study

Kumer, Ajoy ; Chakma, Unesco ; Rana, Md Masud ; Chandro, Akhel ; Akash, Shopnil ; Elseehy, Mona M. ; Albogami, Sarah ; El-Shehawi, Ahmed M.

Molecules (Basel, Switzerland), 2022-06, Vol.27 (12), p.3694 [Periódico revisado por pares]

Basel: MDPI AG

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2
Bilastine Based Drugs as SARS-CoV-2 Protease Inhibitors: Molecular Docking, Dynamics, and ADMET Related Studies
Bilastine Based Drugs as SARS-CoV-2 Protease Inhibitors: Molecular Docking, Dynamics, and ADMET Related Studies
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Bilastine Based Drugs as SARS-CoV-2 Protease Inhibitors: Molecular Docking, Dynamics, and ADMET Related Studies

Kumer, Ajoy ; Chakma, Unesco ; Matin, Mohammed M

Orbital : The Electronic Journal of Chemistry, 2022-01, Vol.14 (1), p.15

Universidade Federal de Mato Grosso do Sul

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3
A Computational Investigation of Electronic Structure and Optical Properties of AlCuO2 and AlCu0.96Fe0.04O2: A First Principle Approach
A Computational Investigation of Electronic Structure and Optical Properties of AlCuO2 and AlCu0.96Fe0.04O2: A First Principle Approach
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A Computational Investigation of Electronic Structure and Optical Properties of AlCuO2 and AlCu0.96Fe0.04O2: A First Principle Approach

Islam, Md. Tawhidul ; Kumer, Ajoy ; Chakma, Unesco ; Howlader, Debashis

Orbital : The Electronic Journal of Chemistry, 2021-01, Vol.13 (1), p.58-64

Universidade Federal de Mato Grosso do Sul

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4
Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization Techniques
Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization Techniques
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Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization Techniques

Ali, Md. Hazrat ; Azad, Md. Abul Kalam ; Khan, K. A. ; Rahman, Md. Obaidur ; Chakma, Unesco ; Kumer, Ajoy

ACS omega, 2023-08, Vol.8 (31), p.28133-28142 [Periódico revisado por pares]

United States: American Chemical Society

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5
MODIFIED D-GLUCOFURANOSE COMPUTATIONALLY SCREENING FOR INHIBITOR OF BREAST CANCER AND TRIPLE BREAST CANCER: CHEMICAL DESCRIPTOR, MOLECULAR DOCKING, MOLECULAR DYNAMICS AND QSAR
MODIFIED D-GLUCOFURANOSE COMPUTATIONALLY SCREENING FOR INHIBITOR OF BREAST CANCER AND TRIPLE BREAST CANCER: CHEMICAL DESCRIPTOR, MOLECULAR DOCKING, MOLECULAR DYNAMICS AND QSAR
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MODIFIED D-GLUCOFURANOSE COMPUTATIONALLY SCREENING FOR INHIBITOR OF BREAST CANCER AND TRIPLE BREAST CANCER: CHEMICAL DESCRIPTOR, MOLECULAR DOCKING, MOLECULAR DYNAMICS AND QSAR

Kumer, Ajoy ; Chakma, Unesco ; Chandro, Akhel ; Howlader, Debashis ; Akash, Shopnil ; Kobir, Md. Eleas ; Hossain, Tomal ; Matin, Mohammed M.

Journal of the Chilean Chemical Society, 2022-09, Vol.67 (3), p.5623-5635 [Periódico revisado por pares]

Sociedad Chilena de Química

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6
Uridine-Derived 4-Aminophenyl 1-Thioglucosides: DFT Optimized FMO, ADME, and Antiviral Activities Study
Uridine-Derived 4-Aminophenyl 1-Thioglucosides: DFT Optimized FMO, ADME, and Antiviral Activities Study
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Uridine-Derived 4-Aminophenyl 1-Thioglucosides: DFT Optimized FMO, ADME, and Antiviral Activities Study

Biointerface Research in Applied Chemistry, 2023-02, Vol.13 (1), p.52

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7
THE COMPUTATIONAL INVESTIGATION OF SIXTEEN ANTIVIRAL DRUGS AGAINST MAIN PROTEASE (MPRO) AND SPIKE PROTEASE (SPRO) OF SARS-COV-2
THE COMPUTATIONAL INVESTIGATION OF SIXTEEN ANTIVIRAL DRUGS AGAINST MAIN PROTEASE (MPRO) AND SPIKE PROTEASE (SPRO) OF SARS-COV-2
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THE COMPUTATIONAL INVESTIGATION OF SIXTEEN ANTIVIRAL DRUGS AGAINST MAIN PROTEASE (MPRO) AND SPIKE PROTEASE (SPRO) OF SARS-COV-2

Kumer, Ajoy ; Chakma, Unesco ; Islam, MD. Tawhidul ; Howlader, Debashis ; Hossain, Tomal

Journal of the Chilean Chemical Society, 2021-12, Vol.66 (4), p.5339-5351 [Periódico revisado por pares]

Sociedad Chilena de Química

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8
Structural geometry, electronic structure, thermo-electronic and optical properties of GaCuO2 and GaCu0.94Fe0.06O2: a first principle approach of three DFT functionals
Structural geometry, electronic structure, thermo-electronic and optical properties of GaCuO2 and GaCu0.94Fe0.06O2: a first principle approach of three DFT functionals
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Structural geometry, electronic structure, thermo-electronic and optical properties of GaCuO2 and GaCu0.94Fe0.06O2: a first principle approach of three DFT functionals

Howlader, Debashis ; Hossain, Md. Sayed ; Chakma, Unesco ; Kumer, Ajoy ; Islam, Mohammad Jahidul ; Islam, Md. Tawhidul ; Hossain, Tomal ; Islam, Jahedul

Molecular simulation, 2021-11, Vol.47 (17), p.1411-1422 [Periódico revisado por pares]

Taylor & Francis

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9
Structural, optical and electronic properties of ZnAg2GeTe4 and ZnAg2Ge0.93Fe0.07Te4 photocatalyst: a first principle approach
Structural, optical and electronic properties of ZnAg2GeTe4 and ZnAg2Ge0.93Fe0.07Te4 photocatalyst: a first principle approach
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Structural, optical and electronic properties of ZnAg2GeTe4 and ZnAg2Ge0.93Fe0.07Te4 photocatalyst: a first principle approach

Hasan, Md. Mahmud ; Kumer, Ajoy ; Chakma, Unesco ; Islam, Md. Tawhidul

Molecular simulation, 2021-05, Vol.47 (7), p.594-601 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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10
Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2
Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2
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Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2

Ahamed, F. M. Mashood ; Chinnam, Sampath ; Challa, Malathi ; Kariyanna, Gurushantha ; Kumer, Ajoy ; Jadoun, Sapana ; Salawi, Ahmad ; G. Al-Sehemi, Abdullah ; Chakma, Unesco ; Mashud, Md. Abdullah Al ; Kumari, Indu

Polycyclic aromatic compounds, 2024-01, Vol.44 (1), p.294-312 [Periódico revisado por pares]

Philadelphia: Taylor & Francis

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