Chemical Physics Impact
 2024
DOI: 10.1016/j.chphi.2024.100502
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Computational integration for antifungal 1,2,4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studies

Soukaina Bouamrane,
Ayoub Khaldan,
Marwa Alaqarbeh
et al.
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