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Virtual screening of azoles libraries : the search for potential anti-mucormycotic agents using computational tools

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dc.contributor.authorHaj Hasan, Ahlam
dc.contributor.authorPreet, Gagan
dc.contributor.authorAstakala, Rishi Vachaspathy
dc.contributor.authorOluwabusola, Emmanuel
dc.contributor.authorEbel, Rainer
dc.contributor.authorJaspars, Marcel
dc.contributor.institutionUniversity of Aberdeen.Chemistryen
dc.contributor.institutionUniversity of Aberdeen.Natural & Computing Sciencesen
dc.contributor.institutionUniversity of Aberdeen.Coastal Communitiesen
dc.date.accessioned2025-05-21T09:00:02Z
dc.date.available2025-05-21T09:00:02Z
dc.date.issued2025-12
dc.descriptionOpen Access via Springer Nature We give sincere thanks to P.S. Oberoi (I.C.A.R, N.D.R.I., India), Ria Desai, and Meshari Alfurayh (Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, UK) for their constructive suggestions. Additionally, we thank Nidhan Singh Oberoi and Albrn Care, India.en
dc.description.statusPeer revieweden
dc.format.extent15
dc.format.extent1643008
dc.identifier303041377
dc.identifier67df3545-e5fe-4fde-9ba2-f44bdf3ef811
dc.identifier105002918347
dc.identifier.citationHaj Hasan, A, Preet, G, Astakala, R V, Oluwabusola, E, Ebel, R & Jaspars, M 2025, 'Virtual screening of azoles libraries : the search for potential anti-mucormycotic agents using computational tools', Network Modeling Analysis in Health Informatics and Bioinformatics, vol. 14, no. 1, 23. https://doi.org/10.1007/s13721-025-00517-1en
dc.identifier.doi10.1007/s13721-025-00517-1
dc.identifier.iss1en
dc.identifier.otherORCID: /0000-0003-3153-4323/work/184793038
dc.identifier.otherORCID: /0000-0002-2426-6028/work/184793872
dc.identifier.otherORCID: /0000-0002-7978-7306/work/184793970
dc.identifier.otherORCID: /0000-0003-4034-1873/work/189638315
dc.identifier.urihttps://hdl.handle.net/2164/25483
dc.identifier.vol14en
dc.language.isoeng
dc.relation.ispartofNetwork Modeling Analysis in Health Informatics and Bioinformaticsen
dc.subjectMucormycosisen
dc.subjectAzolesen
dc.subjectVirtual screeningen
dc.subjectMolecular dockingen
dc.subjectADMETen
dc.subjectmolecular dynamics simulationen
dc.subjectQD Chemistryen
dc.subject.lccQDen
dc.titleVirtual screening of azoles libraries : the search for potential anti-mucormycotic agents using computational toolsen
dc.typeJournal articleen

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