Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Developing the amazing photocatalyst of ZnAg2GeSe4, ZnAg2Ge0.93Fe0.07Se4 and ZnAg2Ge0.86Fe0.14Se4 through the computational explorations by four DFT functionalsKumer, Ajoy ; Chakma, UnescoHeliyon, 2021-07, Vol.7 (7), p.e07467-e07467, Article e07467 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
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2 |
Material Type: Artigo
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A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivativesAkash, 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 Sehgal, Sheikh ArslanPloS one, 2023-10, Vol.18 (10), p.e0283271-e0283271 [Periódico revisado por pares]San Francisco: Public Library of ScienceTexto completo disponível |
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3 |
Material Type: Artigo
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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 StudyKumer, 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 AGTexto completo disponível |
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4 |
Material Type: Artigo
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Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization TechniquesAli, Md. Hazrat ; Azad, Md. Abul Kalam ; Khan, K. A. ; Rahman, Md. Obaidur ; Chakma, Unesco ; Kumer, AjoyACS omega, 2023-08, Vol.8 (31), p.28133-28142 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking, molecular dynamic, ADMET, QSARAlam, Mahbub ; Abser, Mohammed Nurul ; Kumer, Ajoy ; Bhuiyan, Md Mosharef Hossain ; Akter, Parul ; Hossain, Md Emdad ; Chakma, UnescoHeliyon, 2023-06, Vol.9 (6), p.e16222-e16222, Article e16222 [Periódico revisado por pares]England: Elsevier LtdTexto completo disponível |
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6 |
Material Type: Artigo
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Mechanistic inhibition of Monkeypox and Marburg virus infection by O-rhamnosides and Kaempferol-o-rhamnosides derivatives: a new-fangled computational approachAl 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, RohitFrontiers in cellular and infection microbiology, 2023-05, Vol.13, p.1188763-1188763 [Periódico revisado por pares]Switzerland: Frontiers Media S.ATexto completo disponível |
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7 |
Material Type: Artigo
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Comparative analysis of annual and monthly peak flow tendencies, considering two periods in north-central ChilePizarro, Roberto ; García-Chevesich, Pablo ; Balocchi, Francisco ; Pino, Juan ; Ibáñez, Alfredo ; Sangüesa, Claudia ; Vallejos, Carlos ; Mendoza, Romina ; Ingram, Ben ; Sharp, Jonathan OTecnología y ciencias del agua, 2022-09, Vol.13 (5), p.73-100 [Periódico revisado por pares]Texto completo disponível |
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8 |
Material Type: Artigo
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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 QSARKumer, 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 QuímicaTexto completo disponível |
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9 |
Material Type: Artigo
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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 FunctionalsAli, Md. Hazrat ; Islam, Mohammad Jahidul ; Kumer, Ajoy ; Hossain, Md. Sayed ; Chakma, Unesco ; Howlader, Debashis ; Islam, Md. Tawhidul ; Hossain, TomalMaterials research (São Carlos, São Paulo, Brazil), 2021-01, Vol.24 (6) [Periódico revisado por pares]ABM, ABC, ABPolTexto completo disponível |
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10 |
Material Type: Artigo
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Structural, Electronic, Elastic, Mechanical, and Opto-Electronic Properties for ZnAg2SnS4 and ZnAg2Sn0.93Fe0.07S4 Photocatalyst Effort on Wastewater Treatment through the First Principle StudyIslam, Mohammad Jahidul ; Sohag, Md. Sabbir Hasan ; Chakma, Unesco ; Kumer, Ajoy ; Alam, Md. Monsur ; Nazrul Islam Khan, Mohammed Ramachandran, Tholkappiyan ; Tholkappiyan RamachandranAdvances in condensed matter physics, 2023-06, Vol.2023, p.1-13 [Periódico revisado por pares]New York: HindawiTexto completo disponível |