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Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease.
Edache EI, Uzairu A, Mamza PA, Shallangwa GA, Yagin FH, Abdel Samee N, Mahmoud NF. Edache EI, et al. Among authors: mahmoud nf. Front Mol Biosci. 2023 Sep 1;10:1254230. doi: 10.3389/fmolb.2023.1254230. eCollection 2023. Front Mol Biosci. 2023. PMID: 37771457 Free PMC article.
Liver Cancer Algorithm: A novel bio-inspired optimizer.
Houssein EH, Oliva D, Samee NA, Mahmoud NF, Emam MM. Houssein EH, et al. Among authors: mahmoud nf. Comput Biol Med. 2023 Oct;165:107389. doi: 10.1016/j.compbiomed.2023.107389. Epub 2023 Aug 30. Comput Biol Med. 2023. PMID: 37678138
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