Nilges M - Search Results

1

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

Delarue M, Duclert-Savatier N, Miclet E, Haouz A, Giganti D, Ouazzani J, Lopez P, Nilges M, Stoven V. Delarue M, et al. Among authors: nilges m. J Mol Biol. 2007 Feb 23;366(3):868-81. doi: 10.1016/j.jmb.2006.11.063. Epub 2006 Nov 22. J Mol Biol. 2007. PMID: 17196981

2

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

Duclert-Savatier N, Poggi L, Miclet E, Lopes P, Ouazzani J, Chevalier N, Nilges M, Delarue M, Stoven V. Duclert-Savatier N, et al. Among authors: nilges m. J Mol Biol. 2009 May 22;388(5):1009-21. doi: 10.1016/j.jmb.2009.03.063. Epub 2009 Apr 1. J Mol Biol. 2009. PMID: 19345229

3

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

Loth K, Abergel D, Pelupessy P, Delarue M, Lopes P, Ouazzani J, Duclert-Savatier N, Nilges M, Bodenhausen G, Stoven V. Loth K, et al. Among authors: nilges m. Proteins. 2006 Sep 1;64(4):931-9. doi: 10.1002/prot.21063. Proteins. 2006. PMID: 16786593

4

The redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulations.

Duclert-Savatier N, Martínez L, Nilges M, Malliavin TE. Duclert-Savatier N, et al. Among authors: nilges m. BMC Struct Biol. 2011 Nov 24;11:46. doi: 10.1186/1472-6807-11-46. BMC Struct Biol. 2011. PMID: 22115427 Free PMC article.

5

In Silico screening on the three-dimensional model of the Plasmodium vivax SUB1 protease leads to the validation of a novel anti-parasite compound.

Bouillon A, Giganti D, Benedet C, Gorgette O, Pêtres S, Crublet E, Girard-Blanc C, Witkowski B, Ménard D, Nilges M, Mercereau-Puijalon O, Stoven V, Barale JC. Bouillon A, et al. Among authors: nilges m. J Biol Chem. 2013 Jun 21;288(25):18561-73. doi: 10.1074/jbc.M113.456764. Epub 2013 May 7. J Biol Chem. 2013. PMID: 23653352 Free PMC article.

6

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

Martinez M, Duclert-Savatier N, Betton JM, Alzari PM, Nilges M, Malliavin TE. Martinez M, et al. Among authors: nilges m. Biopolymers. 2016 Oct;105(10):670-82. doi: 10.1002/bip.22864. Biopolymers. 2016. PMID: 27124288

7

Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d-ALa:d-Lac Ligase VanA.

Duclert-Savatier N, Bouvier G, Nilges M, Malliavin TE. Duclert-Savatier N, et al. Among authors: nilges m. J Chem Inf Model. 2016 Sep 26;56(9):1762-75. doi: 10.1021/acs.jcim.6b00211. Epub 2016 Sep 12. J Chem Inf Model. 2016. PMID: 27579990 Free PMC article.

8

Functional motions modulating VanA ligand binding unraveled by self-organizing maps.

Bouvier G, Duclert-Savatier N, Desdouits N, Meziane-Cherif D, Blondel A, Courvalin P, Nilges M, Malliavin TE. Bouvier G, et al. Among authors: nilges m. J Chem Inf Model. 2014 Jan 27;54(1):289-301. doi: 10.1021/ci400354b. Epub 2014 Jan 15. J Chem Inf Model. 2014. PMID: 24397493 Free article.

9

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

Duclert-Savatier N, Bouvier G, Nilges M, Malliavin TE. Duclert-Savatier N, et al. Among authors: nilges m. PLoS One. 2018 Nov 29;13(11):e0207899. doi: 10.1371/journal.pone.0207899. eCollection 2018. PLoS One. 2018. PMID: 30496238 Free PMC article.

10

Normal mode analysis suggests a quaternary twist model for the nicotinic receptor gating mechanism.

Taly A, Delarue M, Grutter T, Nilges M, Le Novère N, Corringer PJ, Changeux JP. Taly A, et al. Among authors: nilges m. Biophys J. 2005 Jun;88(6):3954-65. doi: 10.1529/biophysj.104.050229. Epub 2005 Apr 1. Biophys J. 2005. PMID: 15805177 Free PMC article.

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