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Thibaut Barbier

As seen in: MDPI
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Articles

In Silico Identification of Potential Inhibitors of the SARS-CoV-2 Main Protease among a PubChem Database of Avian Infectious Bronchitis Virus 3CLPro Inhibitors - PubMed

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By Laurent Soulère, Thibaut Barbier, Yves Queneau
| ncbi.nlm.nih.gov
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Biomolecules | Free Full-Text | In Silico Identification of Potential Inhibitors of the SARS-CoV-2 Main Protease among a PubChem Database of Avian Infectious Bronchitis Virus 3CLPro Inhibitors

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By Laurent Soulère, Thibaut Barbier, Yves Queneau
| MDPI
3.3. Molecular Dynamics Studies (Non-Covalent Inhibitors) The stability of the complexes formed between the protein and the non-covalent potential inhibitors was then investigated by molecular dynamics. First, molecular dynamics simulations were performed for 500 ps in triplicate (), showing that the ligands remained tightly bound to the active site over the simulation time.
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Molecules | Free Full-Text | Importance of the 2,6-Difluorobenzamide Motif for FtsZ Allosteric Inhibition: Insights from Conformational Analysis, Molecular Docking and Structural Modifications

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By Oana Dumitrescu, Gerard Lina, Yves Queneau, Thibaut Barbier
| MDPI
This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
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