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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
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 [Peer Reviewed Journal]

Philadelphia: Taylor & Francis

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2
First-principles calculations to investigate structural, optical and electronic properties of ZrO 2 , Zr 0.93 Si 0.07 O 2 and Zr 0.86 Si 0.14 O 2 for dye-sensitised solar cells applications
First-principles calculations to investigate structural, optical and electronic properties of ZrO 2 , Zr 0.93 Si 0.07 O 2 and Zr 0.86 Si 0.14 O 2 for dye-sensitised solar cells applications
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First-principles calculations to investigate structural, optical and electronic properties of ZrO 2 , Zr 0.93 Si 0.07 O 2 and Zr 0.86 Si 0.14 O 2 for dye-sensitised solar cells applications

Chakma, Unesco ; Ali, Md. Hazrat ; Das, Durjoy Kumar ; Boidya, Jui Rozline ; Khan, Md. Barkat Ullah ; Mahmud, Md. Sultan ; Hasan, Md. Likhon ; Rokanuzzaman, Md ; Taraq, Mahadi Hassan ; Ahmad, Zubair ; Kaiyum, Abdul ; Kumer, Ajoy

Molecular simulation, 2023-10, Vol.49 (15), p.1389-1400 [Peer Reviewed Journal]

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3
First-principles calculations to investigate structural, optical and electronic properties of ZrO2, Zr0.93Si0.07O2 and Zr0.86Si0.14O2 for dye-sensitised solar cells applications
First-principles calculations to investigate structural, optical and electronic properties of ZrO2, Zr0.93Si0.07O2 and Zr0.86Si0.14O2 for dye-sensitised solar cells applications
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First-principles calculations to investigate structural, optical and electronic properties of ZrO2, Zr0.93Si0.07O2 and Zr0.86Si0.14O2 for dye-sensitised solar cells applications

Chakma, Unesco ; Ali, Md. Hazrat ; Das, Durjoy Kumar ; Boidya, Jui Rozline ; Khan, Md. Barkat Ullah ; Mahmud, Md. Sultan ; Hasan, Md. Likhon ; Rokanuzzaman, Md ; Taraq, Mahadi Hassan ; Ahmad, Zubair ; Kaiyum, Abdul ; Kumer, Ajoy

Molecular simulation, 2023-10, Vol.49 (15), p.1389-1400 [Peer Reviewed Journal]

Abingdon: Taylor & Francis

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4
Anti-lung cancer drug discovery approaches by polysaccharides: an in silico study, quantum calculation and molecular dynamics study
Anti-lung cancer drug discovery approaches by polysaccharides: an in silico study, quantum calculation and molecular dynamics study
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Anti-lung cancer drug discovery approaches by polysaccharides: an in silico study, quantum calculation and molecular dynamics study

Kobir, Md. Eleas ; Ahmed, Asif ; Roni, Md. Abul Hasan ; Chakma, Unesco ; Amin, Md. Ruhul ; Chandro, Akhel ; Kumer, Ajoy

Journal of biomolecular structure & dynamics, 2023-09, Vol.41 (14), p.6616-6632 [Peer Reviewed Journal]

England: Taylor & Francis

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5
Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking, molecular dynamic, ADMET, QSAR
Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking, molecular dynamic, ADMET, QSAR
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Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking, molecular dynamic, ADMET, QSAR

Alam, Mahbub ; Abser, Mohammed Nurul ; Kumer, Ajoy ; Bhuiyan, Md Mosharef Hossain ; Akter, Parul ; Hossain, Md Emdad ; Chakma, Unesco

Heliyon, 2023-06, Vol.9 (6), p.e16222-e16222, Article e16222 [Peer Reviewed Journal]

England: Elsevier Ltd

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6
Mechanistic inhibition of Monkeypox and Marburg virus infection by O-rhamnosides and Kaempferol-o-rhamnosides derivatives: a new-fangled computational approach
Mechanistic inhibition of Monkeypox and Marburg virus infection by O-rhamnosides and Kaempferol-o-rhamnosides derivatives: a new-fangled computational approach
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Mechanistic inhibition of Monkeypox and Marburg virus infection by O-rhamnosides and Kaempferol-o-rhamnosides derivatives: a new-fangled computational approach

Al Mashud, Md Abdullah ; Kumer, Ajoy ; Mukerjee, Nobendu ; Chandro, Akhel ; Maitra, Swastika ; Chakma, Unesco ; Dey, Abhijit ; Akash, Shopnil ; Alexiou, Athanasiosis ; Khan, Azmat Ali ; Alanazi, Amer M ; Ghosh, Arabinda ; Chen, Kow-Tong ; Sharma, Rohit

Frontiers in cellular and infection microbiology, 2023-05, Vol.13, p.1188763-1188763 [Peer Reviewed Journal]

Switzerland: Frontiers Media S.A

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7
Methicillin-Resistant Staphylococcus aureus (MRSA), Vancomycin-Resistant Staphylococcus aureus (VRSA), and Vancomycin-Resistant Enterococci ‌ (VRE) Contamination of Food Samples in Iran: A Systematic Review and Meta-Analysis
Methicillin-Resistant Staphylococcus aureus (MRSA), Vancomycin-Resistant Staphylococcus aureus (VRSA), and Vancomycin-Resistant Enterococci ‌ (VRE) Contamination of Food Samples in Iran: A Systematic Review and Meta-Analysis
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Methicillin-Resistant Staphylococcus aureus (MRSA), Vancomycin-Resistant Staphylococcus aureus (VRSA), and Vancomycin-Resistant Enterococci ‌ (VRE) Contamination of Food Samples in Iran: A Systematic Review and Meta-Analysis

Mohamadi, Sara ; Rezaee, Ramin ; Hashemi, Mohammad ; Kiani, Behzad ; Ghasemi, Sajjad ; Alizadeh Sani, Mahmood ; Afshari, Asma

Majallah-i mīkrub/shināsī-i pizishkī-i Īrān, 2023-03, Vol.17 (2), p.135-149 [Peer Reviewed Journal]

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8
A study on pseudo-potential effect, electronic structure, aquatic toxicity, and optical properties of perovskites solar cell of Cs2NiCl6, Cs2NiBr6, and Cs2PtBr6: Through DFT methods
A study on pseudo-potential effect, electronic structure, aquatic toxicity, and optical properties of perovskites solar cell of Cs2NiCl6, Cs2NiBr6, and Cs2PtBr6: Through DFT methods
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A study on pseudo-potential effect, electronic structure, aquatic toxicity, and optical properties of perovskites solar cell of Cs2NiCl6, Cs2NiBr6, and Cs2PtBr6: Through DFT methods

Ali, Md. Hazrat ; Hossain, Pritish Haldera Md. Siam ; Biswas, Julian Pretom ; Sarker, Sujan ; Kamruzzaman, Md ; Nurujjaman, Nurujjaman ; Thamid, Thamid ; Ali, Md. Ishak ; Chakma, Unesco ; Kumer, Ajoy

Current chemistry letters, 2023, Vol.12 (3), p.557-566

Growing Science

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9
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 [Peer Reviewed Journal]

Basel: MDPI AG

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10
"Planeterranean" Diet: extending worldwide the health benefits of Mediterranean Diet based on nutritional properties of locally available foods
"Planeterranean" Diet: extending worldwide the health benefits of Mediterranean Diet based on nutritional properties of locally available foods
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"Planeterranean" Diet: extending worldwide the health benefits of Mediterranean Diet based on nutritional properties of locally available foods

Colao, Annamaria ; Vetrani, Claudia ; Muscogiuri, Giovanna ; Barrea, Luigi ; Tricopoulou, Antonia ; Soldati, Laura ; Piscitelli, Prisco

Journal of translational medicine, 2022-05, Vol.20 (1), p.232-232, Article 232 [Peer Reviewed Journal]

England: BioMed Central Ltd

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