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Modeling large protein–glycosaminoglycan complexes using a fragment‐based approach

Archive ouverte | Chauvot de Beauchêne, Isaure | CCSD

Glycosaminoglycans (GAGs), a major constituant of the extracellular matrix, participate in cell-signaling by binding specific proteins. Structural data on protein-GAG interactions is crucial to understand and modulate these signal...

How Missense Mutations in Receptors Tyrosine Kinases impact Constitutive Activity and alternate Drug Sensitivity: Insights from Molecular Dynamics Simulations

Archive ouverte | Chauvot de Beauchêne, Isaure | CCSD

International audience. The fundamental oncology-related research is required for a deeper understanding of the molecular mechanisms associated with the normal and/or abnormal protein functions, which are closely re...

Conformational variability in proteins bound to single-stranded DNA: a new benchmark for new docking perspectives

Archive ouverte | Mias-Lucquin, Dominique | CCSD

International audience. We explored the Protein DataBank (PDB) to collect protein-ssDNA structures and create a multiconformational docking benchmark including both bound and unbound protein structures. Due to ssDNA...

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