Nathalie Basdevant

14
Documents

Publications

Publications

Sequence and Force Effects on ssDNA Translocation through a Protein Nanopore: Coarse-Grained Steered Molecular Dynamics Simulations

Cagla Okyay , Jérôme Mathé , Nathalie Basdevant
Journal of Physical Chemistry B, 2025, ⟨10.26434/chemrxiv-2025-jz1v6⟩
Article dans une revue hal-05396685 v1
Image document

Exploring ssDNA translocation through α-hemolysin using coarse-grained steered molecular dynamics

Cagla Okyay , Delphine Dessaux , Rosa Ramirez , Jérôme Mathé , Nathalie Basdevant
Nanoscale, In press, ⟨10.1039/D4NR01581A⟩
Article dans une revue hal-04673868 v1

Current Rectification and Ionic Selectivity of α-Hemolysin: Coarse-Grained Molecular Dynamics Simulations

Delphine Dessaux , Jérôme Mathé , Rosa Ramirez , Nathalie Basdevant
Journal of Physical Chemistry B, 2022, 126 (23), pp.4189-4199. ⟨10.1021/acs.jpcb.2c01028⟩
Article dans une revue hal-03838328 v1
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Ionic transport through a protein nanopore: a Coarse-Grained Molecular Dynamics Study

Nathalie Basdevant , Delphine Dessaux , Rosa Ramirez
Scientific Reports, 2019, 9 (1), ⟨10.1038/s41598-019-51942-y⟩
Article dans une revue hal-02395220 v1

Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences

Pasquale Cutolo , Nathalie Basdevant , Guillaume Bernadat , Françoise Bachelerie , Tâp Ha-Duong
Journal of Biomolecular Structure and Dynamics, 2017, 35 (2), pp.399-412. ⟨10.1080/07391102.2016.1145142⟩
Article dans une revue hal-02110176 v1
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Structure of ring-shaped Aβ42 oligomers determined by conformational selection

Linh Tran , Nathalie Basdevant , C Prévost , Tâp Ha-Duong
Scientific Reports, 2016, 6, pp.21429. ⟨10.1038/srep21429⟩
Article dans une revue hal-01497983 v1

Influence of GTP/GDP and magnesium ion on the solvated structure of the protein FtsZ: a molecular dynamics study

Carla Jamous , Nathalie Basdevant , Tap Ha-Duong
Journal of Biomolecular Structure and Dynamics, 2014, 32 (6), pp.916-927. ⟨10.1080/07391102.2013.799436⟩
Article dans une revue hal-02112312 v1

Modeling Protein–Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION

Nathalie Basdevant , Daniel Borgis , Tap Ha-Duong
Journal of Chemical Theory and Computation, 2013, 9 (1), pp.803-813. ⟨10.1021/CT300943W⟩
Article dans une revue hal-02112584 v1

A polarizable coarse-grained water model for coarse-grained proteins simulations

Tap Ha-Duong , Nathalie Basdevant , Daniel Borgis
Chemical Physics Letters, 2009, 468 (1-3), pp.79-82. ⟨10.1016/j.cplett.2008.11.092⟩
Article dans une revue istex hal-04710697 v1

A Coarse-Grained Protein−Protein Potential Derived from an All-Atom Force Field

Nathalie Basdevant , Daniel Borgis , Tap Ha-Duong
Journal of Physical Chemistry B, 2007, 111 (31), pp.9390-9399. ⟨10.1021/jp0727190⟩
Article dans une revue istex hal-04710687 v1

Dielectric constant of a highly polarizable atomic fluid: the clausius–mossotti versus the onsager relation

Nathalie Basdevant , Tap Ha-Duong , Daniel Borgis
Molecular Physics, 2006, 102 (8), pp.783-788. ⟨10.1080/00268970410001711328⟩
Article dans une revue hal-04710670 v1

Thermodynamic Basis for Promiscuity and Selectivity in Protein−Protein Interactions: PDZ Domains, a Case Study

Nathalie Basdevant , Harel Weinstein , Marco Ceruso
Journal of the American Chemical Society, 2006, 128 (39), pp.12766-12777. ⟨10.1021/ja060830y⟩
Article dans une revue hal-04710680 v1

A semi‐implicit solvent model for the simulation of peptides and proteins

Nathalie Basdevant , Daniel Borgis , Tap Ha-Duong
Journal of Computational Chemistry, 2004, 25 (8), pp.1015-1029. ⟨10.1002/jcc.20031⟩
Article dans une revue istex hal-04710660 v1