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Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics SimulationsJournal of Chemical Information and Modeling, 2022, ⟨10.1021/acs.jcim.2c00852⟩
Journal articles
hal-03855904v1
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Advanced molecular dynamics simulation methods for kinase drug discoveryFuture Medicinal Chemistry, 2016, 8 (5), pp.545-566. ⟨10.4155/fmc.16.9⟩
Journal articles
hal-02494426v1
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Prédiction des constantes cinétiques de complexes protéine-ligandChimie organique. Université d'Orléans, 2019. Français. ⟨NNT : 2019ORLE3175⟩
Theses
tel-03853237v1
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Enhanced molecular dynamics methods applied to drug design projectsMethods in Molecular Biology, 2018, 1762, pp.403-426. ⟨10.1007/978-1-4939-7756-7_20⟩
Journal articles
hal-01966502v1
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