Chantal Prévost

This paper evaluates limitations of deep learning in biomolecular structure prediction, highlighting the benefits of explicit ion modeling for improving conformational accuracy.

The paper uses molecular dynamics simulations to study the dynamic interactions between Tau protein and tubulin C-terminal tails, revealing sequence-dependent effects and disorder-disorder interplay.

DynaPIN extracts dynamic interface fingerprints from molecular simulations to better characterize protein interactions beyond static models.

The paper uses molecular dynamics simulations to study how the mechanical properties of RecA nucleoprotein filaments change with increasing D-loop length during homologous recombination.

This paper uses coarse-grain simulations to study the conformational dynamics of Tau protein with and without phosphorylations, linking structural features to functional properties.

The paper assesses the overbinding of monovalent cations to phosphorylations in forcefields, identifies it as an artifact, and proposes a parameterization strategy to improve accuracy.

This study uses molecular dynamics simulations to analyze how phosphorylations of tau-R2 affect its binding to tubulin and the stability of the tau-microtubule interface.

The paper introduces Menger_Curvature, a MDAKit implementation for calculating Menger Curvatures and Local Flexibilities in polymers, showing it is faster than RMSF and effective for analyzing protein dynamics.

This study investigates how AT8 phosphorylation affects Tau protein conformation and dynamics using biophysical experiments and simulations.

This paper uses molecular dynamics simulations to study how counterion bridges formed by phosphate groups affect the conformational dynamics of phosphorylated tau-R2 repeat.

The paper shows that Chi sites at the ends of RecBCD-generated ssDNA tails prevent genomic rearrangements by ensuring proper homology search and strand exchange during bacterial recombinational repair.