| Structures and stabilities of alkaline earth metal oxide nanoclusters: a DFT study P Batra, R Gaba, U Issar, R Kakkar Journal of theoretical chemistry 2013, 2013 | 28 | 2013 |
| In Silico study of the active site of Helicobacter pylori urease and its inhibition by hydroxamic acids R Arora, U Issar, R Kakkar Journal of Molecular Graphics and Modelling 83, 64-73, 2018 | 26 | 2018 |
| Theoretical study of the molecular structure and intramolecular proton transfer in benzohydroxamic acid R Arora, U Issar, R Kakkar Computational and Theoretical Chemistry 1105, 18-26, 2017 | 18 | 2017 |
| Identification of novel urease inhibitors: pharmacophore modeling, virtual screening and molecular docking studies R Arora, U Issar, R Kakkar Journal of Biomolecular Structure and Dynamics, 2018 | 15 | 2018 |
| Assessment of molecular binding of Hoechst 33258 analogues into DNA using docking and MM/GBSA approach U Issar, T Kumari, R Kakkar Journal of Computational Science 10, 166-177, 2015 | 14 | 2015 |
| Docking modes of BB-3497 into the PDF active site–A comparison of the pure MM and QM/MM based docking strategies T Kumari, U Issar, R Kakkar Current Computer-Aided Drug Design 10 (4), 315-326, 2014 | 13 | 2014 |
| Combined pharmacophore-guided 3D-QSAR, molecular docking, and virtual screening on bis-benzimidazoles and ter-benzimidazoles as DNA–topoisomerase I poisons U Issar, R Arora, T Kumari, R Kakkar Structural Chemistry 30, 1185-1201, 2019 | 11 | 2019 |
| Conformational properties of DNA minor groove binder Hoechst 33258 in gas phase and in aqueous solution U Issar, T Kumari, R Arora, R Kakkar Computational and Theoretical Chemistry 1113, 32-41, 2017 | 10 | 2017 |
| DNA minor groove binder Hoechst 33258 and its analogues: A review U Issar, R Kakkar Int. Rev. Biophys. Chem.(IREBIC) 4, 49-66, 2013 | 6 | 2013 |
| Theoretical investigation of organotin (IV) complexes of substituted benzohydroxamic acids R Arora, U Issar, R Kakkar Computational and Theoretical Chemistry 1138, 57-65, 2018 | 4 | 2018 |
| Recent advances in the antioxidant activity of metal-curcumin complexes: A combined computational and experimental review A Mittal, M Nagpal, VK Vashistha, R Arora, U Issar Free Radical Research 58 (1), 11-26, 2024 | 2 | 2024 |
| Computational Approach Toward Identification and Catalytic Degradation of Chemical Warfare Agents Using MOFs R Arora, U Issar Metal-Organic Frameworks (MOFs) as Catalysts, 431-451, 2022 | 2 | 2022 |
| Functionalized Carbon Nanomaterials (FCNMs): A Green and Sustainable Vision U Issar, R Arora Environmental Applications of Carbon Nanomaterials‐Based Devices, 395-422, 2021 | 1 | 2021 |
| In silico studies of the interaction of the minor groove binder Hoechst 33258 with B-DNA U Issar, R Arora, R Kakkar Journal of Biomolecular Structure and Dynamics, 1-16, 2023 | | 2023 |
| Antiviral Potency of Chitosan, Its Derivatives, and Nanocomposites U Issar, R Arora Chitosan-Based Nanocomposite Materials: Fabrication, Characterization and …, 2022 | | 2022 |
| Biomedical Application of Chitosan-Based Nanocomposites as Antifungal Agents R Arora, U Issar Chitosan-Based Nanocomposite Materials: Fabrication, Characterization and …, 2022 | | 2022 |
| Theoretical Study on Catalytic Capture and Fixation of Carbon Dioxide by Metal–Organic Frameworks (MOFs) U Issar, R Arora Metal-Organic Frameworks (MOFs) as Catalysts, 237-264, 2022 | | 2022 |
| Research Article Structures and Stabilities of Alkaline Earth Metal Oxide Nanoclusters: A DFT Study P Batra, R Gaba, U Issar, R Kakkar | | 2013 |
