| Screening of potential drug from Azadirachta Indica (Neem) extracts for SARS-CoV-2: An insight from molecular docking and MD-simulation studies N Baildya, AA Khan, NN Ghosh, T Dutta, AP Chattopadhyay Journal of molecular structure 1227, 129390, 2021 | 135 | 2021 |
| Inhibitory efficiency of potential drugs against SARS-CoV-2 by blocking human angiotensin converting enzyme-2: Virtual screening and molecular dynamics study AA Khan, N Baildya, T Dutta, NN Ghosh Microbial Pathogenesis 152, 104762, 2021 | 34 | 2021 |
| Inhibitory efficacy of RNA virus drugs against SARS-CoV-2 proteins: an extensive study M Mandal, SK Chowdhury, AA Khan, N Baildya, T Dutta, D Misra, ... Journal of molecular structure 1234, 130152, 2021 | 31 | 2021 |
| Comparative study of the efficiency of silicon carbide, boron nitride and carbon nanotube to deliver cancerous drug, azacitidine: A DFT study N Baildya, S Mazumdar, NK Mridha, AP Chattopadhyay, AA Khan, T Dutta, ... Computers in Biology and Medicine 154, 106593, 2023 | 26 | 2023 |
| Inhibitory effect of anti-HIV compounds extracted from Indian medicinal plants to retard the replication and transcription process of SARS-CoV-2: an insight from molecular … T Dutta, N Baildya, AA Khan, NN Ghosh Network Modeling Analysis in Health Informatics and Bioinformatics 10 (1), 32, 2021 | 26 | 2021 |
| Screening of potential anti-HIV compounds from Achyranthes aspera extracts for SARS-CoV-2: An insight from molecular docking study T Dutta, S Ghorai, AA Khan, N Baildya, NN Ghosh Journal of Physics: Conference Series 1797 (1), 012042, 2021 | 15 | 2021 |
| Yttrium nitrate catalyzed synthesis, photophysical study, and TD‐DFT calculation of 2, 3‐dihydroquinazolin‐4 (1H)‐ones AA Khan, K Mitra, A Mandal, N Baildya, MA Mondal Heteroatom Chemistry 28 (4), e21379, 2017 | 13 | 2017 |
| CO2 activation on transition metal decorated graphene quantum dots: An insight from first principles K Ghosh, NK Mridha, AA Khan, N Baildya, T Dutta, K Biswas, NN Ghosh Physica E: Low-dimensional Systems and Nanostructures 135, 114993, 2022 | 12 | 2022 |
| Repurposing of anti-lung cancer drugs as multi-target inhibitors of SARS-CoV-2 proteins: An insight from molecular docking and MD-simulation study R Reza, T Dutta, N Baildya, NN Ghosh, AA Khan, RK Das Microbial Pathogenesis 169, 105615, 2022 | 8 | 2022 |
| A mechanistic insight into the acid catalyzed, one-pot synthesis of isoindole-fused quinazolin 4-ones MA Mondal, S Mondal, AA Khan Journal of Chemical Sciences 132, 1-5, 2020 | 8 | 2020 |
| Comparative study of CO2 activation on alkali metals encapsulated III–V hollow nanocages: An insight from first-principles calculations R Maiti, NN Ghosh, AA Khan, N Baildya, DK Maiti Physics Letters A 412, 127554, 2021 | 6 | 2021 |
| Influence of ortho group in rhodamine B hydrazide based Schiff base for selective recognition of Cu2+ and Fe3+ ions: A mechanistic approach by DFT and colorimetric studies M Thakur, K Ghosh, P Choudhury, AA Khan, S Mondal, NN Ghosh, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 290, 122271, 2023 | 5 | 2023 |
| Synthesis of Functionalized Quinazolinones via Acid‐Catalyzed Redox Neutral Reaction MA Mondal, S Mondal, AA Khan ChemistrySelect 6 (42), 11788-11791, 2021 | 5 | 2021 |
| Novel Coronavirus Disease (COVID-19): an extensive study on evolution, global health, drug targets and vaccines AA Khan, T Dutta, P Mondal, M Mandal, SK Chowdhury, M Ahmed, ... International Journal of Clinical Virology 5 (2), 054-069, 2021 | 4 | 2021 |
| Exhaled Volatile Organic Compounds (VOCs). A Potential Biomarkers for Chronic Disease Diagnosis P Mondal, D Misra, SK Chowdhury, V Mandal, T Dutta, N Baildya, ... Volatile Org. Compd 50083, 2021 | 4 | 2021 |
| Preparation of ZnO/chitosan nanocomposite and its applications to durable antibacterial, UV-blocking, and textile properties T Dutta, AA Khan, N Baildya, P Mondal, NN Ghosh Biodegradable and Environmental Applications of Bionanocomposites, 169-187, 2022 | 3 | 2022 |
| Activity of pure flavonoid-based green silver nano particles against breast cancer: A combined experimental and computational investigation T Dutta, A Maity, AA Khan, NN Ghosh Journal of Molecular Structure 1311, 138348, 2024 | 2 | 2024 |
| Microwave Promoted Y (NO3) 3· 6H2O Catalyzed Biginelli Synthesis of Dihydropyrimidin-2-ones AA Khan, K Mitra, MA Mondal Asian Journal of Chemistry 29 (3), 529, 2017 | 2 | 2017 |
| Comparative study of electron transfer dynamics in Re (I)-polypyridyl Cd-chalcogenide nanocomposites for high-performance dye-sensitized solar cells S Choudhury, AA Khan, S Saha, MN Roy, NN Ghosh Structural Chemistry 35 (1), 371-381, 2024 | 1 | 2024 |
| Tetrazole 5-Acetic Acid Catalyzed Synthesis and Photophysical Study of 2-Aryl-2, 3-dihydroquinolin-4 (1H)-ones MA Mondal, AA Khan, K Mitra Letters in Organic Chemistry 16 (3), 176-184, 2019 | 1 | 2019 |
