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Accueil du site > Pages Personnelles > Basdevant Nathalie > Publications

Publications

2016
P. Cutolo, N. Basdevant, G. Bernadat, F. Bachelerie & T. Ha-Duong.
- Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12 : Coarse-grained simulations identify differences.
- J. Biomol. Struc. Dyn. 2016.
L. Tran, N. Basdevant, C. Prévost & T. Ha-Duong.
- Structure of ring-shaped Aβ42 oligomers determined by conformational selection.
- Scientific Reports. 2016.
2014
C. Jamous, N. Basdevant & T. Ha-Duong.
- Influence of GTP/GDP and Magnesium Ion on the Solvated Structure of the Protein FtsZ : A Molecular Dynamics Study.
- J. Biomol. Struc. Dyn. 2014. 32 (6) 916−927.
2013
N. Basdevant, D. Borgis & T. Ha-Duong.
- Modeling Protein−Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION
- J. Chem. Theory Comput.. 2013. 9 (1) 803−813.
2010
T. Ha-Duong, N. Basdevant & D. Borgis.
- Molecular Dynamics Simulations of Biomolecules in a Polarizable Coarse-Grained Solvent.
- In Modeling Solvent Environments. Applications to Simulations of Biomolecules (Ed. M. Feig). WILEYVCH Verlag GmbH & Co. KgaA Weinheim – pp 251-272, 2010. ISBN : 9783527324217.
2009
T. Ha-Duong, N. Basdevant & D. Borgis.
- A polarizable coarse-grained water model for coarse-grained proteins simulations.
- Chem. Phys. Letters 2009. 468 : 79-82.
2007
N. Basdevant, D. Borgis & T. Ha-Duong.
- A Coarse-Grained Protein-Protein Potential Derived from an All-Atom Force Field.
- J. Phys. Chem. B. 2007. 111 (31) : 9390-9399.
2006
N. Basdevant, T. Ha-Duong & D. Borgis.
- Particle-Based Implicit Solvent Model for Biosimulations : Application to Proteins and Nucleic Acids Hydration.
- J. Chem. Theory Comput. 2006, 2 (6) : 1646-1656.
N. Basdevant, T. Ha-Duong & D. Borgis
- Particle Based Implicit Solvent Model for Biomolecular Simulations.
- AIP Conference Proceedings. 2006, 851 : 192-195.
N. Basdevant, H. Weinstein & M. Ceruso
- Thermodynamic basis for promiscuity and selectivity in protein-protein interactions : PDZ domains, a case study.
- J. Am. Chem. Soc. 2006, 128 (39) : 12766-12777.
2004
N. Basdevant, D. Borgis & T. Ha-Duong.
- A semi-implicit solvent model for the Simulation of Peptides and Proteins.
- J. Comput. Chem. 2004, 25 (8) : 1015-29.
N. Basdevant, T. Ha-Duong & D. Borgis.
- Dielectric constant of a highly polarizable atomic fluid : The Clausius-Mossotti versus the Onsager relation.
- Mol. Phys. 2004, 102 (8) : 783-788.
2003
Nathalie Capitaine-Basdevant.
- Ph.D Thesis of Université d’Évry Val d’Essonne.
- A semi-implicit solvation model for the simulation of biological macromolecules.
- Ph.D advisors : Tap Ha-Duong and Daniel Borgis.