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New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies.
El Bakri Y, Karthikeyan S, Lai CH, Bakhite EA, Ahmad I, Abdel-Rahman AE, Abuelhassan S, Marae IS, Mohamed SK, Mague JT. El Bakri Y, et al. Among authors: ahmad i. J Biomol Struct Dyn. 2024 Jul;42(10):5053-5071. doi: 10.1080/07391102.2023.2224899. Epub 2023 Jun 26. J Biomol Struct Dyn. 2024. PMID: 38764131
In silico search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined approach of structure-based virtual screening and molecular dynamics simulation.
Patel HM, Ahmad I, Pawara R, Shaikh M, Surana S. Patel HM, et al. Among authors: ahmad i. J Biomol Struct Dyn. 2021 Mar;39(4):1491-1505. doi: 10.1080/07391102.2020.1734092. Epub 2020 Mar 6. J Biomol Struct Dyn. 2021. PMID: 32102624
3,373 results