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Accurate PDZ/Peptide Binding Specificity with Additive and Polarizable Free Energy SimulationsBiophysical Journal, 2018, 114 (5), pp.1091-1102. ⟨10.1016/j.bpj.2018.01.008⟩
Journal articles
hal-01974145v1
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Computational Design of the Tiam1 PDZ Domain and Its Ligand BindingJournal of Chemical Theory and Computation, 2017, 13 (5), pp.2271-2289. ⟨10.1021/acs.jctc.6b01255⟩
Journal articles
hal-01961585v1
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A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ DomainFrontiers in Molecular Biosciences, 2017, 4, ⟨10.3389/fmolb.2017.00065⟩
Journal articles
hal-01961715v1
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A physics-based energy function allows the computational redesign of a PDZ domainScientific Reports, 2020, 10 (1), pp.11150. ⟨10.1038/s41598-020-67972-w⟩
Journal articles
hal-02988336v1
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