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Conformational sampling of CpxA: Connecting HAMP motions to the histidine kinase function

Nathalie Duclert-Savatier , Guillaume Bouvier , Michael Nilges , Thérèse Malliavin
PLoS ONE, 2018, 13 (11), pp.e0207899. ⟨10.1371/journal.pone.0207899⟩
Journal articles pasteur-02330083v1
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Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d -ALa: d -Lac Ligase VanA

Nathalie Duclert-Savatier , Guillaume Bouvier , Michael Nilges , Thérèse Malliavin
Journal of Chemical Information and Modeling, 2016, 56 (9), pp.1762 - 1775. ⟨10.1021/acs.jcim.6b00211⟩
Journal articles hal-01907205v1

Three dimensional structure and implications for the catalytic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei

Marc Delarue , Nathalie Duclert-Savatier , Emeric Miclet , Ahmed Haouz , David Giganti et al.
Journal of Molecular Biology, 2007, 366 (3), pp.868-881. ⟨10.1016/j.jmb.2006.11.063⟩
Journal articles istex hal-00138995v1

Allosteric Communication within the Cytoplasmic Region of the Histidine Kinase CpxA, Revealed by Molecular Dynamics Simulations of the Wild-Type and M228V Proteins

Marlet Martinez , Nathalie Duclert , Jean-Michel Betton , Pedro M. Alzari , Michael Nilges et al.
Biophysical Journal, 2016, 108 (2), supplement 1, 184A. ⟨10.1016/j.bpj.2014.11.1016⟩
Journal articles pasteur-01300941v1
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The redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulations.

Nathalie Duclert-Savatier , Leandro Martínez , Michael Nilges , Thérèse Malliavin
BMC Structural Biology, 2011, 11 (1), pp.46. ⟨10.1186/1472-6807-11-46⟩
Journal articles pasteur-00667292v1

Mechanism of Cl- selection by a glutamate-gated chloride (GluCl) receptor revealed through mutations in the selectivity filter.

Morten Sunesen , Lia Prado de Carvalho , Virginie Dufresne , Regis Grailhe , Nathalie Savatier-Duclert et al.
Journal of Biological Chemistry, 2006, 281 (21), pp.14875-81. ⟨10.1074/jbc.M511657200⟩
Journal articles pasteur-00161476v1

Determination of dihedral Psi angles in large proteins by combining NH(N)/C(alpha)H(alpha) dipole/dipole cross-correlation and chemical shifts

Karine Loth , Daniel Abergel , Philippe Pelupessy , Marc Delarue , Philippe Lopes et al.
Proteins - Structure, Function and Bioinformatics, 2006, 64 (4), pp.931-939. ⟨10.1002/prot.21063⟩
Journal articles istex hal-00103645v1
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Vers une méthode inédite de détection des rétrovirus humains : activation de provirus recombinants HIV-1 LacZ par le produit du gêne tat

Claire Bonnerot , Nathalie Savatier , Jean Francois Nicolas
Comptes rendus de l’Académie des sciences. Série III, Sciences de la vie, 1988, 307 (6), pp.311-6
Journal articles hal-01974062v1
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Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps

Guillaume Bouvier , Nathalie Duclert-Savatier , Nathan Desdouits , Djalal Meziane-Cherif , Arnaud Blondel et al.
Journal of Chemical Information and Modeling, 2014, 54 (1), pp.289-301. ⟨10.1021/ci400354b⟩
Journal articles pasteur-02510864v1

Modification in hydrophobic packing of HAMP domain induces a destabilization of the auto-phosphorylation site in the histidine kinase CpxA

Marlet Martinez , Nathalie Duclert-Savatier , Jean-Michel Betton , Pedro Alzari , Michael Nilges et al.
Biopolymers, 2016, 105 (10), pp.670 - 682. ⟨10.1002/bip.22864⟩
Journal articles hal-01907206v1

Pore conformations and gating mechanism of a Cys-loop receptor.

Yoav Paas , Gilad Gibor , Regis Grailhe , Nathalie Savatier-Duclert , Virginie Dufresne et al.
Proceedings of the National Academy of Sciences of the United States of America, 2005, 102 (44), pp.15877-82. ⟨10.1073/pnas.0507599102⟩
Journal articles pasteur-00162520v1
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Lobeline Docking on AChBP and Nicotinic Receptors: Discriminating Importance of the Pocket Geometry and of the Ligand Configuration

Claire Colas , Xavier Brotel , Nathalie Duclert-Savatier , Michael Nilges , Delphine Joseph et al.
Letters in Drug Design and Discovery, 2011, 9 (1), pp.54 - 62. ⟨10.2174/157018012798193017⟩
Journal articles pasteur-01458944v1

Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation.

Nathalie Duclert-Savatier , Luisa Poggi , Emeric Miclet , Philippe Lopes , Jamal Ouazzani et al.
Journal of Molecular Biology, 2009, 388 ((5)), pp.1009-21. ⟨10.1016/j.jmb.2009.03.063⟩
Journal articles hal-00648906v1