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.
Published in Molecules (Basel, Switzerland) (08.06.2022)
Published in Molecules (Basel, Switzerland) (08.06.2022)
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Journal Article
A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives
Akash, Shopnil, Aovi, Farjana Islam, Azad, Md. A. K, Kumer, Ajoy, Chakma, Unesco, Islam, Md. Rezaul, Mukerjee, Nobendu, Rahman, Md. Mominur, Bayil, Imren, Rashid, Summya, Sharma, Rohit
Published in PloS one (12.10.2023)
Published in PloS one (12.10.2023)
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Journal Article
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
Published in ACS omega (08.08.2023)
Published in ACS omega (08.08.2023)
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Journal Article
Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis
Matin, Mohammed Mahbubul, Kumer, Ajoy, Chandro, Akhel, Akash, Shopnil, Chakma, Unesco
Published in Orbital : The Electronic Journal of Chemistry (04.05.2024)
Published in Orbital : The Electronic Journal of Chemistry (04.05.2024)
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Journal Article
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
Published in Heliyon (01.06.2023)
Published in Heliyon (01.06.2023)
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Journal Article
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
Published in Orbital : The Electronic Journal of Chemistry (01.01.2021)
Published in Orbital : The Electronic Journal of Chemistry (01.01.2021)
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Journal Article
Investigation of Structural, Electronic and Optical Properties of Na2InAgCl6, K2InAgCl6, and Rb2InAgCl6 Lead-Free Halide Double Perovskites Regarding with Cs2InAgCl6 Perovskites Cell and a Comparative Study by DFT Functionals
Ali, Md. Hazrat, Islam, Mohammad Jahidul, Kumer, Ajoy, Hossain, Md. Sayed, Chakma, Unesco, Howlader, Debashis, Islam, Md. Tawhidul, Hossain, Tomal
Published in Materials research (São Carlos, São Paulo, Brazil) (01.01.2021)
Published in Materials research (São Carlos, São Paulo, Brazil) (01.01.2021)
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Journal Article
Structural, Electronic, Elastic, Mechanical, and Opto-Electronic Properties for ZnAg2SnS4 and ZnAg2Sn0.93Fe0.07S4 Photocatalyst Effort on Wastewater Treatment through the First Principle Study
Islam, Mohammad Jahidul, Sohag, Md. Sabbir Hasan, Chakma, Unesco, Kumer, Ajoy, Alam, Md. Monsur, Nazrul Islam Khan, Mohammed
Published in Advances in condensed matter physics (05.06.2023)
Published in Advances in condensed matter physics (05.06.2023)
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Journal Article
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
Published in Current chemistry letters (2023)
Published in Current chemistry letters (2023)
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Journal Article
Theoretical and computational exploration of electronic structure, optical properties, open circuit voltage, and toxicity of perovskites solar Cell:(Cs2SiX6, X = Cl, Br, and I)
Ali, Md. Hazrat, Khatun, Halima, Khan, M.S.S., Roy, Shuva, Roy, Shubha, Hossain, Ridoy, Robiul Mia, Md, Rahman Khan, Ashiqur, Arfin Hussain, Syed, Bayejid Hossen, Md, Khan, Md. Barkat Ullah, Kaiyum, Abdul, Karim, Md Tauhidul, Chakma, Unesco, Kumer, Ajoy
Published in Hybrid Advances (01.12.2023)
Published in Hybrid Advances (01.12.2023)
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Journal Article
Chemical descriptors, PASS, molecular docking, molecular dynamics and ADMET predictions of glucopyranoside derivatives as inhibitors to bacteria and fungi growth
Kawsar, Sarkar M. A., Kumer, Ajoy, Munia, Nasrin S., Hosen, Mohammed A., Chakma, Unesco, Akash, Shopnil
Published in Organic communications (28.06.2022)
Published in Organic communications (28.06.2022)
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Journal Article
Facile Synthesis of Computationally Designed MgAl 2 O 4 /CeO 2 /Cu 2 o and MgAl 2 O 4 /CeO 2 /Ag 2 o Smart Heterojunction Photocatalysts for Aqueous Organic Pollutants Degradation
Hoque, Khondaker Afrina, Kumer, Ajoy, Chakma, Unesco, Chowdury, Al-Nakib
Published in ECS transactions (24.04.2022)
Published in ECS transactions (24.04.2022)
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Journal Article
The computational screening of inhibitor for black fungus and white fungus by D-glucofuranose derivatives using in silico and SAR study
Kumer, Ajoy, Chakma, Unesco, Matin, Mohammed M., Akash, Shopnil, Howlader, Debashis, Chandro, Akhel
Published in Organic communications (30.12.2021)
Published in Organic communications (30.12.2021)
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Journal Article
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
Published in Journal of biomolecular structure & dynamics (22.09.2023)
Published in Journal of biomolecular structure & dynamics (22.09.2023)
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Journal Article
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.
Published in Journal of the Chilean Chemical Society (01.09.2022)
Published in Journal of the Chilean Chemical Society (01.09.2022)
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Journal Article