Citations (15)
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Neha Agarwal, Aysha Fatima, Prabuddha Bhattacharya, S. Muthu, Himanshu Arora, Nazia Siddiqui & Saleem Javed. (2023) Evaluation of experimental, computational, molecular docking and dynamic simulation of flucytosine. Journal of Biomolecular Structure and Dynamics 41:20, pages 10430-10449.
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Ghazala Khanum, Aysha Fatima, Rafiq Ahmad Rather, Nazia Siddiqui, Sambanthan Muthu, Sanjay Kumar Srivastava & Saleem Javed. (2023) Synthesis, Spectroscopic, Quantum Chemical, and Molecular Docking Studies of 2-Cyano-N-Cyclopropylacetamide and 2-Cyano-N-(1-Phenylethyl)Acetamide. Polycyclic Aromatic Compounds 43:10, pages 9047-9073.
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Aysha Fatima, Akram Ali, Ramya Rajan, Indresh Verma, S. Muthu, Nazia Siddiqui, Pankaj Garg & Saleem Javed. (2023) Experimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer). Polycyclic Aromatic Compounds 43:10, pages 8599-8631.
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Km. Garima, Aysha Fatima, Km. Pooja, Sandhya Savita, Manoj Sharma, Mohit Kumar, S. Muthu, Nazia Siddiqui & Saleem Javed. (2023) Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies. Polycyclic Aromatic Compounds 43:9, pages 7828-7852.
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Shikha Sharma, Aysha Fatima, Farah Manzer Manhas, Neha Agarwal, Meenakshi Singh, S. Muthu, Nazia Siddiqui & Saleem Javed. (2023) Experimental Spectroscopic, Quantum Chemical, Molecular Docking, and Molecular Dynamic Simulation Studies on Hydantoin (Monomer and Dimer). Polycyclic Aromatic Compounds 43:7, pages 6627-6653.
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Aysha Fatima, Meenakshi Singh, Khamael M. Abualnaja, Khaled Althubeiti, S. Muthu, Nazia Siddiqui & Saleem Javed. (2023) Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine. Polycyclic Aromatic Compounds 43:5, pages 3910-3940.
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Articles from other publishers (9)
V．S． Jeba Reeda, S. Sakthivel, P. Divya, Saleem Javed & V． Bena Jothy. (2024) Conformational stability, quantum computational (DFT), vibrational, electronic and non-covalent interactions (QTAIM, RDG and IGM) of antibacterial compound N-(1-naphthyl)ethylenediamine dihydrochloride. Journal of Molecular Structure 1298, pages 137043.
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Shaghaf Mobin Ansari, Ghazala Khanum, Muneer-Ul-Shafi Bhat, Masood Ahmad Rizvi, Noor U Din Reshi, Majid Ahmad Ganie, Saleem Javed & Bhahwal Ali Shah. (2023) Studies towards investigation of Naphthoquinone-based scaffold with crystal structure as lead for SARS-CoV-19 management. Journal of Molecular Structure 1283, pages 135256.
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Aysha Fatima, Himanshu Arora, Prabuddha Bhattacharya, Nazia Siddiqui, Khamael M. Abualnaja, Pankaj Garg & Saleem Javed. (2023) DFT, Molecular Docking, Molecular Dynamics Simulation, MMGBSA Calculation and Hirshfeld Surface Analysis of 5-Sulfosalicylic Acid. Journal of Molecular Structure 1273, pages 134242.
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Binda T. Andongma, Yazheng Huang, Fang Chen, Qing Tang, Min Yang, Shan-Ho Chou, Xinfeng Li & Jin He. (2023) In silico design of a promiscuous chimeric multi-epitope vaccine against Mycobacterium tuberculosis. Computational and Structural Biotechnology Journal 21, pages 991-1004.
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Anish Gomatam, Afreen Khan, Kavita Raikuvar, Merwyn D’costa & Evans Coutinho. 2023. Current Trends in Computational Modeling for Drug Discovery. Current Trends in Computational Modeling for Drug Discovery
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Farah Manzer Manhas, Aysha Fatima, Indresh Verma, Nazia Siddiqui, S. Muthu, Huda Salem AlSalem, Sandhya Savita, Meenakshi Singh & Saleem Javed. (2022) Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2,6-dicarbonyl dichloride. Journal of Molecular Structure 1265, pages 133374.
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Arun Sharma, Ghazala Khanum, Anuj Kumar, Aysha Fatima, Meenakshi Singh, Khamael M. Abualnaja, Khaled Althubeiti, S. Muthu, Nazia Siddiqui & Saleem Javed. (2022) Conformational stability, quantum computational, spectroscopic, molecular docking and molecular dynamic simulation study of 2-hydroxy-1-naphthaldehyde. Journal of Molecular Structure 1259, pages 132755.
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Neha Singh, Aysha Fatima, Meenakshi Singh, Mukesh kumar, Indresh Verma, S. Muthu, Nazia Siddiqui & Saleem Javed. (2022) Exploration of experimental, theoretical, Hirshfeld surface, molecular docking and electronic excitation studies of Menadione: A potent anti-cancer agent. Journal of Molecular Liquids 351, pages 118670.
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Oluwayimika E. Akinsiku, Opeyemi S. Soremekun & Mahmoud E. S. Soliman. (2021) Update and Potential Opportunities in CBP [Cyclic Adenosine Monophosphate (cAMP) Response Element-Binding Protein (CREB)-Binding Protein] Research Using Computational Techniques. The Protein Journal 40:1, pages 19-27.
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