Theoretical Investigation of Natural Flavonoids as Dual-Action Inhibitors of Microbiologically Influenced Corrosion Using DFT, Monte Carlo, Molecular Docking, and Molecular Dynamics Simulations.
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| Title: | Theoretical Investigation of Natural Flavonoids as Dual-Action Inhibitors of Microbiologically Influenced Corrosion Using DFT, Monte Carlo, Molecular Docking, and Molecular Dynamics Simulations. |
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| Authors: | Al Saray BAAK; Department of Pharmacology, College of Medicine, Wasit University, Wasit, 52001, Iraq., Jasim EM; Department of Pharmacology and Toxicology, College of Pharmacy, University of Kut, Wasit, 52001, Iraq., Hameed SA; Department of Chemistry, College of Science, Wasit University, Wasit, 52001, Iraq., Ajeel ZH; Department of Pharmacology and Toxicology, College of Pharmacy, University of Kut, Wasit, 52001, Iraq., Mansour RJ; College of Agriculture, Wasit University, Wasit, 52001, Iraq., Faisal AH; College of Medical Technology, The Islamic University, Najaf, Iraq., Kadhim MM; Technical College of Engineering, University of Kut, Kut, Wasit, 52001, Iraq. Mustafa_kut88@yahoo.com. |
| Source: | Journal of molecular modeling [J Mol Model] 2026 Jun 24; Vol. 32 (7). Date of Electronic Publication: 2026 Jun 24. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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