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Structure-based identification of potential antifungal agents against Aspergillus fumigatus through multiscale computational approaches.

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Title: Structure-based identification of potential antifungal agents against Aspergillus fumigatus through multiscale computational approaches.
Authors: Aljarba TM; Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Bakht MA; Department of Chemistry, College Science and Humanities, Prince Sattam Bin Abdulaziz University, P.O. Box- 83, Al-Kharj 11942, Saudi Arabia., Aldawsari MF; Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Anwer MK; Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Alam P; Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 2457, Saudi Arabia., Rahmani M; Department of Biotechnology, College of Commerce, Arts & Science, Patliputra University, KankarBagh, Patna, Bihar 800020, India., Kamal MA; Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia. Electronic address: ma.kamal@psau.edu.sa.
Source: Computational biology and chemistry [Comput Biol Chem] 2026 Jun 17; Vol. 124 (Pt 2), pp. 109195. Date of Electronic Publication: 2026 Jun 17.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X (Electronic) Linking ISSN: 14769271 NLM ISO Abbreviation: Comput Biol Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1476-928X
DOI:10.1016/j.compbiolchem.2026.109195