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Computational identification of potential antifungal targets against Claviceps purpurea via MD simulation and MM/GBSA

Abstract Ergot alkaloids produced by the fungus Claviceps purpurea pose significant risks to agriculture and human health. This study systematically investigates the pathogenicity of C. purpurea, analyzing five strains for their proteomic profiles, which revealed genetic variability in size and GC c...

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Autores principales: Abdullah R. Alanzi, Moneerah J. Alqahtani, Jawaher H. Alqahtani
Formato: Artigo
Lenguaje:Inglês
Publicado: Nature Portfolio 2025-12-01
Colección:Scientific Reports
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Acceso en línea:https://doi.org/10.1038/s41598-025-30566-5
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