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Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro.
Alamri MA, Tahir Ul Qamar M, Mirza MU, Bhadane R, Alqahtani SM, Muneer I, Froeyen M, Salo-Ahen OMH. Alamri MA, et al. Among authors: tahir ul qamar m. J Biomol Struct Dyn. 2021 Aug;39(13):4936-4948. doi: 10.1080/07391102.2020.1782768. Epub 2020 Jun 24. J Biomol Struct Dyn. 2021. PMID: 32579061 Free PMC article.
An integrative reverse vaccinology, immunoinformatic, docking and simulation approaches towards designing of multi-epitopes based vaccine against monkeypox virus.
Ullah A, Shahid FA, Haq MU, Tahir Ul Qamar M, Irfan M, Shaker B, Ahmad S, Alrumaihi F, Allemailem KS, Almatroudi A. Ullah A, et al. Among authors: tahir ul qamar m. J Biomol Struct Dyn. 2023 Sep-Oct;41(16):7821-7834. doi: 10.1080/07391102.2022.2125441. Epub 2022 Sep 21. J Biomol Struct Dyn. 2023. PMID: 36129135 Free PMC article.
Integrated virtual screening and molecular dynamics simulation approaches revealed potential natural inhibitors for DNMT1 as therapeutic solution for triple negative breast cancer.
Bashir Y, Noor F, Ahmad S, Tariq MH, Qasim M, Tahir Ul Qamar M, Almatroudi A, Allemailem KS, Alrumaihi F, Alshehri FF. Bashir Y, et al. Among authors: tahir ul qamar m. J Biomol Struct Dyn. 2024 Feb-Mar;42(3):1099-1109. doi: 10.1080/07391102.2023.2198017. Epub 2023 Apr 6. J Biomol Struct Dyn. 2024. PMID: 37021492
89 results