Nathalie Basdevant
University of Évry Val d'Essonne
13 Papers
72 Citations
Nathalie Basdevant is an academic researcher from University of Évry Val d'Essonne. The author has contributed to research in topics: Molecular dynamics & Solvation. The author has an hindex of 8, co-authored 12 publications. Previous affiliations of Nathalie Basdevant include Centre national de la recherche scientifique & College of Staten Island.
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Papers
Modeling Protein-Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION.
TL;DR: SCORPION appears as a useful tool to study protein-protein recognition in a solvated environment and a new Polarizable Coarse-Grained Solvent (PCGS) model, which is computationally efficient, consistent with the protein CG representation, and yields accurate electrostatic free energies of proteins.
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A polarizable coarse-grained water model for coarse-grained proteins simulations
TL;DR: In this paper, a numerically efficient coarse-grained water model is introduced, where the solvent is represented by polarizable pseudo-particles embedding three water molecules, and the particles carry induced dipoles that are made sensitive to the solute electric field, but not to each other.
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Structure of ring-shaped Aβ42 oligomers determined by conformational selection
TL;DR: This study provides support for the conformational selection mechanism of Aβ peptide self-assembly by identifying a particular conformation which was able to generate ring-shaped pentamers and hexamers, when docked onto itself.
A semi-implicit solvent model for the simulation of peptides and proteins.
TL;DR: A new model of biomolecules hydration based on macroscopic electrostatic theory is presented, that can both describe the microscopic details of solvent–solute interactions and allow for an efficient evaluation of the electrostatic hydration free energy.
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Particle-Based Implicit Solvent Model for Biosimulations: Application to Proteins and Nucleic Acids Hydration.
TL;DR: The recently developed particle-based implicit solvent model allows for the reproduction of the highly localized water molecules in the major or minor grooves of the nucleic acid double helices, despite the absence of explicit water hydrogen bonds.
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