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authFullName_s : Ernesto Fuentes

Accurate PDZ/Peptide Binding Specificity with Additive and Polarizable Free Energy Simulations

Nicolas Panel , Francesco Villa , Ernesto Fuentes , Thomas Simonson
Biophysical Journal, 2018, 114 (5), pp.1091-1102. ⟨10.1016/j.bpj.2018.01.008⟩
Journal articles hal-01974145v1

Computational Design of the Tiam1 PDZ Domain and Its Ligand Binding

David Mignon , Nicolas Panel , Xingyu Chen , Ernesto Fuentes , Thomas Simonson
Journal 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 Domain

Nicolas Panel , Young Joo Sun , Ernesto Fuentes , Thomas Simonson
Frontiers in Molecular Biosciences, 2017, 4, ⟨10.3389/fmolb.2017.00065⟩
Journal articles hal-01961715v1

A physics-based energy function allows the computational redesign of a PDZ domain

Vaitea Opuu , Young Joo Sun , Titus Hou , Nicolas Panel , Ernesto Fuentes , et al.
Scientific Reports, 2020, 10 (1), pp.11150. ⟨10.1038/s41598-020-67972-w⟩
Journal articles hal-02988336v1