Hydrodynamic Radius Determination of Tau and AT8 Phosphorylated Tau Mutants: A Combined Simulation and Experimental Study

This Zenodo repository contains the data for the following article : Hydrodynamic Radius Determination of Tau and AT8 Phosphorylated Tau Mutants: A Combined Simulation and Experimental Study by Cynthia Lohberger [1][∗], Jules Marien [4][∗], Clarisse Bridot [2], Chantal Prévost [4], Diane Allegro [1], Mario Tatoni [3], Isabelle Landrieu [2], Caroline Smet-Nocca [2], Sophie Sacquin-Mora [4][#] and Pascale Barbier [1][#] [1] Aix Marseille Univ, CNRS, Institut de Neurophysiopathologie, Marseille, France[2] Université de Lille, INSERM, Lille, France[3] Aix Marseille Univ, CNRS, Bioénergétique et Ingénierie des Protéines, IMM, Marseille, France[4] Université Paris Cité, CNRS, IBPC, Laboratoire de Biochimie Théorique[∗] first-authors[#] corresponding authors The associated Github repository can be accessed at : https://github.com/Jules-Marien/Articles/tree/main/_2025_Lohberger_Marien_pCALVADOS Detailed content of the Zenodo repository : The folder Scripts_CG_2_AA/ contains all the scripts necessary to transcribe a coarse-grained pCALVADOS simulation to an all-atom minimized simulation. The folder Trajectory_sequence_WT/ contains the coarse-grained pCALVADOS simulation and the all-atom minimized simulation for the wild-type sequence of Tau (Uniprot P10636-8) with no phosphorylations. The folder Trajectory_sequence_D/ contains the coarse-grained pCALVADOS simulation and the all-atom minimized simulation for the mutant sequence D with no phosphorylations. The folder Trajectory_sequence_D1/ contains the coarse-grained pCALVADOS simulation and the all-atom minimized simulation for the mutant sequence D with phosphorylations at Ser202, Thr205 and Thr212. The folder Trajectory_sequence_D2/ contains the coarse-grained pCALVADOS simulation and the all-atom minimized simulation for the mutant sequence D with phosphorylations at Ser198, Ser202, Thr205, Ser208 and Thr212.