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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

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

Aleksandras Gutmanas , Paul D Adams , Benjamin Bardiaux , Helen M. Berman , David Case , et al.
Nature Structural and Molecular Biology, 2015, 22, pp.433-434. ⟨10.1038/nsmb.3041⟩
Journal articles hal-01187684v1
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SAXS Merge : an automated statistical method to merge SAXS profiles using Gaussian processes

Yannick G. Spill , Seung Joong Kim , Dina Schneidman-Duhovny , Daniel Russel , Ben Webb , et al.
Journal of Synchrotron Radiation, 2014, 21 (1), pp.203 - 208. ⟨10.1107/S1600577513030117⟩
Journal articles pasteur-01402996v1

Accurate NMR structures through minimization of an extended hybrid energy.

Michael Nilges , Aymeric Bernard , Benjamin Bardiaux , Thérèse Malliavin , Michael Habeck , et al.
Structure, 2008, 16 (9), pp.1305-12. ⟨10.1016/j.str.2008.07.008⟩
Journal articles pasteur-01570038v1

Structural and functional studies of titin’s fn3 modules reveal conserved surface patterns and binding to myosin S1 - a possible role in the frank-starling mechanism of the heart

Claudia Muhle-Goll , Michael Habeck , Olivier Cazorla , Michael Nilges , Siegfried Labeit , et al.
Journal of Molecular Biology, 2001, 313 (2), pp.431-447. ⟨10.1006/jmbi.2001.5017⟩
Journal articles istex hal-01824394v1

Recommendations of the wwPDB NMR validation task force

T. Montelione Gaetano , Michael Nilges , Ad Bax , Peter Güntert , Torsten Herrmann , et al.
Structure, 2013, 21 (9), pp.1563-1570. ⟨10.1016/j.str.2013.07.021⟩
Journal articles hal-00955839v1
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quicksom: Self-Organizing Maps on GPUs for clustering of molecular dynamics trajectories

Vincent Mallet , Michael Nilges , Guillaume Bouvier
Bioinformatics, 2021, 37 (14), pp.2064-2065. ⟨10.1093/bioinformatics/btaa925⟩
Journal articles hal-03122153v1
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Tuning interval Branch-and-Prune for protein structure determination

Bradley Worley , Florent Delhommel , Florence Cordier , Thérèse Malliavin , Benjamin Bardiaux , et al.
Journal of Global Optimization, 2018, 72 (1), pp.109-127. ⟨10.1007/s10898-018-0635-0⟩
Journal articles pasteur-01921275v2
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Structural biology by NMR: structure, dynamics, and interactions.

Phineus R L Markwick , Thérèse Malliavin , Michael Nilges
PLoS Computational Biology, 2008, 4 (9), pp.e1000168. ⟨10.1371/journal.pcbi.1000168⟩
Journal articles pasteur-01570032v1
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Sequence-specific DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase

Nelly Morellet , Xianghong Li , Silke Wieninger , Jennifer Taylor , Julien Bischerour , et al.
Nucleic Acids Research, 2018, 46 (5), pp.2660-2677. ⟨10.1093/nar/gky044⟩
Journal articles hal-02114800v1
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Computational Design of Protein-Based Inhibitors of Plasmodium vivax Subtilisin-Like 1 Protease

Giacomo Bastianelli , Anthony Bouillon , Christophe Nguyen , Dung Le-Nguyen , Michael Nilges , et al.
PLoS ONE, 2014, 9 (10), ⟨10.1371/journal.pone.0109269⟩
Journal articles pasteur-01414431v1
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Graphical analysis of NMR structural quality and interactive contact map of NOE assignments in ARIA.

Benjamin Bardiaux , Aymeric Bernard , Wolfgang Rieping , Michael Habeck , Thérèse E Malliavin , et al.
BMC Structural Biology, 2008, 8, pp.30. ⟨10.1186/1472-6807-8-30⟩
Journal articles pasteur-01570029v1
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Shelling the Voronoi interface of protein-protein complexes predicts residue activity and conservation

Benjamin Bouvier , Raik Gruenberg , Michael Nilges , Frédéric Cazals
[Research Report] RR-6415, INRIA. 2008
Reports inria-00206173v3
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Minimal NMR distance information for rigidity of protein graphs

Carlile Lavor , Leo Liberti , Bruce Donald , Bradley Worley , Benjamin Bardiaux , et al.
Discrete Applied Mathematics, 2019, 256, pp.91-104. ⟨10.1016/j.dam.2018.03.071⟩
Journal articles hal-01907200v2
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Survey of Targeted Communities Concerning StratusLab

Mohammed Airaj , Christophe Blanchet , Charles Loomis , Thérèse Malliavin , Henar Muñoz Frutos , et al.
Reports hal-00687166v1

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
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Ordering Protein Contact Matrices

Chuan Xu , Guillaume Bouvier , Benjamin Bardiaux , Michael Nilges , Thérèse Malliavin , et al.
Computational and Structural Biotechnology Journal, 2018, 16, pp.140 - 156. ⟨10.1016/j.csbj.2018.03.001⟩
Journal articles hal-01776351v1

Structural Characterization of Whirlin Reveals an Unexpected and Dynamic Supramodule Conformation of Its PDZ Tandem

Florent Delhommel , Florence Cordier , Benjamin Bardiaux , Guillaume Bouvier , Baptiste Colcombet-Cazenave , et al.
Structure, 2017, 25 (11), pp.1645-1656.e5. ⟨10.1016/j.str.2017.08.013⟩
Journal articles pasteur-02883914v1
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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
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Probabilistic structure calculation

Michael Nilges , Michael Habeck , Wolfgang Rieping
Comptes Rendus. Chimie, 2008, 11 (4-5), pp.356 - 369. ⟨10.1016/j.crci.2007.11.006⟩
Journal articles pasteur-01515495v1
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SNARE protein mimicry by an intracellular bacterium

Cédric Delevoye , Michael Nilges , Pierre Dehoux , Fabienne Paumet , Stéphanie Perrinet , et al.
PLoS Pathogens, 2008, 4 (3), pp.e1000022. ⟨10.1371/journal.ppat.1000022⟩
Journal articles pasteur-00332618v1
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ARIAweb: a server for automated NMR structure calculation

Fabrice Allain , Fabien Mareuil , Hervé Ménager , Michael Nilges , Benjamin Bardiaux
Nucleic Acids Research, 2020, ⟨10.1093/nar/gkaa362⟩
Journal articles pasteur-02569631v1
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Detailed structural and assembly model of the type II secretion pilus from sparse data.

Manuel Campos , Michaël Nilges , David A Cisneros , Olivera Francetic
Proceedings of the National Academy of Sciences of the United States of America, 2010, 107 (29), pp.13081-6. ⟨10.1073/pnas.1001703107⟩
Journal articles pasteur-01500664v1