| A structure-based drug discovery paradigm M Batool, B Ahmad, S Choi International journal of molecular sciences 20 (11), 2783, 2019 | 561 | 2019 |
| Exploring the binding mechanism of PF-07321332 SARS-CoV-2 protease inhibitor through molecular dynamics and binding free energy simulations B Ahmad, M Batool, Q Ain, MS Kim, S Choi International journal of molecular sciences 22 (17), 9124, 2021 | 100 | 2021 |
| Mutations in the SARS-CoV-2 spike RBD are responsible for stronger ACE2 binding and poor anti-SARS-CoV mAbs cross-neutralization M Shah, B Ahmad, S Choi, HG Woo Computational and Structural Biotechnology Journal 18, 3402-3414, 2020 | 73 | 2020 |
| Oceans as a source of immunotherapy B Ahmad, M Shah, S Choi Marine drugs 17 (5), 282, 2019 | 33 | 2019 |
| Origanum vulgare L.: in vitro assessment of cytotoxicity, molecular docking studies, antioxidant and anti-inflammatory activity in LPS stimulated RAW 264.7 cells RH Mir, G Sawhney, R Verma, B Ahmad, P Kumar, S Ranjana, A Bhagat, ... Medicinal Chemistry 17 (9), 983-993, 2021 | 21 | 2021 |
| Sequence variation of SARS-CoV-2 spike protein may facilitate stronger interaction with ACE2 promoting high infectivity M Shah, B Ahmad, S Choi, HG Woo | 15 | 2020 |
| Structural and functional characterization of the Vindoline biosynthesis pathway enzymes of Catharanthus roseus B Ahmad, A Banerjee, H Tiwari, S Jana, S Bose, S Chakrabarti Journal of Molecular Modeling 24, 1-14, 2018 | 12 | 2018 |
| Design, Synthesis, Molecular Modelling, and Biological Evaluation of Oleanolic Acid-Arylidene Derivatives as Potential Anti-Inflammatory Agents MHM Reyaz Hassan Mir, Goutami Godavari, Nasir Ali Siddiqui, Bilal Ahmad ... Drug Design, Development and Therapy 15, 385—397, 2021 | 9 | 2021 |
| Hedgehog antagonist pyrimidine–Indole hybrid molecule inhibits ciliogenesis through microtubule destabilisation H Khatra, PP Khan, S Pattanayak, J Bhadra, B Rather, S Chakrabarti, ... ChemBioChem 19 (7), 723-735, 2018 | 8 | 2018 |
| Computational-driven epitope verification and affinity maturation of TLR4-targeting antibodies B Ahmad, M Batool, MS Kim, S Choi International Journal of Molecular Sciences 22 (11), 5989, 2021 | 7 | 2021 |
| Unraveling the tomaralimab epitope on the toll-like receptor 2 via molecular dynamics and deep learning B Ahmad, S Choi ACS omega 7 (32), 28226-28237, 2022 | 6 | 2022 |
| Therapeutic targeting of innate immune receptors against SARS-CoV-2 infection M Farooq, AW Khan, B Ahmad, MS Kim, S Choi Frontiers in pharmacology 13, 915565, 2022 | 6 | 2022 |
| Modeling structure-activity relationships with machine learning to identify GSK3-targeted small molecules as potential COVID-19 therapeutics RH Pirzada, B Ahmad, N Qayyum, S Choi Frontiers in Endocrinology 14, 542, 2023 | 3 | 2023 |
| Arteannuin-B and (3-Chlorophenyl)-2-Spiroisoxazoline Derivative Exhibit Anti-Inflammatory Effects in LPS-Activated RAW 264.7 Macrophages and BALB/c Mice-Induced Proinflammatory … G Sawhney, JU Rasool, D Saroch, M Ozturk, F Brombacher, B Ahmad, ... Molecules 27 (22), 8068, 2022 | 3 | 2022 |
| Accelerated NLRP3 inflammasome-inhibitory peptide design using a recurrent neural network model and molecular dynamics simulations B Ahmad, A Achek, M Farooq, S Choi Computational and Structural Biotechnology Journal 21, 4825-4835, 2023 | 1 | 2023 |
| Phytochemical profiling, antioxidant, cytotoxic, and anti-inflammatory activities of Plectranthus rugosus extract and fractions: in vitro, in vivo, and in silico approaches RH Mir, R Mohi-Ud-Din, LA Al-Keridis, B Ahmad, N Alshammari, M Patel, ... Inflammopharmacology, 1-14, 2024 | | 2024 |
| Neuroinflammation, autoinflammation, splenomegaly and anemia caused by bi-allelic mutations in IRAK4 S Cooray, F Price-Kuehne, Y Hong, E Omoyinmi, A Burleigh, KC Gilmour, ... Frontiers in Immunology 14, 1231749, 2023 | | 2023 |
| Nlrp3 inflammasome inhibitory peptide for treatment of inflammatory diseases RBA Choi Sangdun WO Patent WO2022225330A1, 2022 | | 2022 |
