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Slimane Laref

As seen in: Color Research & Application, MDPI
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Articles

Exploring Antiviral Drugs on Monolayer Black Phosphorene: Atomistic Theory and Explainable Machine Learning-Assisted Platform

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By Slimane Laref, Fouzi Harrou, Ying Sun, Xin Gao
| MDPI
All articles published by MDPI are made immediately available worldwide under an open access license. No special permission is required to reuse all or part of the article published by MDPI, including figures and tables. For articles published under an open access Creative Common CC BY license, any part of the article may be reused without permission provided that the original article is clearly cited. For more information, please refer to https://www.mdpi.com/openaccess.
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Synergy of Small Antiviral Molecules on a Black-Phosphorus Nanocarrier: Machine Learning and Quantum Chemical Simulation Insights

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By Slimane Laref, Fouzi Harrou, Bin Wang, Ying Sun
| MDPI
Abstract : Favipiravir (FP) and Ebselen (EB) belong to a broad range of antiviral drugs that have shown active potential as medications against many viruses. Employing molecular dynamics simulations and machine learning (ML) combined with van der Waals density functional theory, we have uncovered the binding characteristics of these two antiviral drugs on a phosphorene nanocarrier.
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Computational Studies of Auto-Active van der Waals Interaction Molecules on Ultra-Thin Black-Phosphorus Film

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By Slimane Laref, Bin Wang, Xin Gao, Takashi Gojobori
| MDPI
This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
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