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Marc Delarue - Publications

Affiliations: 
Biologie Structural et Chimie Institut Pasteur, Paris, Paris, France 
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109 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Hsieh YC, Delarue M, Orland H, Koehl P. Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson-Boltzmann Theories. Viruses. 15. PMID 37376665 DOI: 10.3390/v15061366  0.686
2021 Koehl P, Orland H, Delarue M. Parameterizing elastic network models to capture the dynamics of proteins. Journal of Computational Chemistry. PMID 34117647 DOI: 10.1002/jcc.26701  0.687
2021 Koehl P, Delarue M, Orland H. Simultaneous Identification of Multiple Binding Sites in Proteins: A Statistical Mechanics Approach. The Journal of Physical Chemistry. B. PMID 33973782 DOI: 10.1021/acs.jpcb.1c02658  0.7
2021 Koehl P, Delarue M, Orland H. Physics approach to the variable-mass optimal-transport problem. Physical Review. E. 103: 012113. PMID 33601576 DOI: 10.1103/PhysRevE.103.012113  0.648
2020 Hu H, Howard RJ, Bastolla U, Lindahl E, Delarue M. Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 32482881 DOI: 10.1073/Pnas.1922701117  0.428
2020 Madru C, Henneke G, Raia P, Hugonneau-Beaufet I, Pehau-Arnaudet G, England P, Lindahl E, Delarue M, Carroni M, Sauguet L. Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA. Nature Communications. 11: 1591. PMID 32221299 DOI: 10.1038/S41467-020-15392-9  0.321
2019 Koehl P, Delarue M, Orland H. Optimal transport at finite temperature. Physical Review. E. 100: 013310. PMID 31499816 DOI: 10.1103/Physreve.100.013310  0.677
2019 Koehl P, Delarue M, Orland H. Statistical Physics Approach to the Optimal Transport Problem. Physical Review Letters. 123: 040603. PMID 31491256 DOI: 10.1103/Physrevlett.123.040603  0.666
2019 Loc'h J, Gerodimos CA, Rosario S, Tekpinar M, Lieber MR, Delarue M. Structural evidence for an base selection mechanism involving Loop1 in Polymerase mu at an NHEJ double-strand break junction. The Journal of Biological Chemistry. PMID 31138645 DOI: 10.1074/Jbc.Ra119.008739  0.343
2019 Raia P, Carroni M, Henry E, Pehau-Arnaudet G, Brûlé S, Béguin P, Henneke G, Lindahl E, Delarue M, Sauguet L. Structure of the DP1-DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases. Plos Biology. 17: e3000122. PMID 30657780 DOI: 10.1371/Journal.Pbio.3000122  0.311
2018 Koehl P, Orland H, Delarue M. Numerical Encodings of Amino Acids in Multivariate Gaussian Modeling of Protein Multiple Sequence Alignments. Molecules (Basel, Switzerland). 24. PMID 30597916 DOI: 10.3390/Molecules24010104  0.694
2018 Hu H, Ataka K, Menny A, Fourati Z, Sauguet L, Corringer PJ, Koehl P, Heberle J, Delarue M. Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 30541892 DOI: 10.1073/Pnas.1813378116  0.632
2018 Koehl P, Delarue M. Coarse-grained dynamics of supramolecules: Conformational changes in outer shells of Dengue viruses. Progress in Biophysics and Molecular Biology. PMID 30273615 DOI: 10.1016/J.Pbiomolbio.2018.09.004  0.618
2018 Delarue M, Koehl P. Combined approaches from physics, statistics, and computer science for protein structure prediction: (unity is strength)? F1000research. 7. PMID 30079234 DOI: 10.12688/F1000Research.14870.1  0.601
2018 Fourati Z, Howard RJ, Heusser SA, Hu H, Ruza RR, Sauguet L, Lindahl E, Delarue M. Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Reports. 23: 993-1004. PMID 29694907 DOI: 10.1016/J.Celrep.2018.03.108  0.4
2018 Hu H, Nemecz Á, Van Renterghem C, Fourati Z, Sauguet L, Corringer PJ, Delarue M. Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation. Proceedings of the National Academy of Sciences of the United States of America. PMID 29632192 DOI: 10.1073/Pnas.1717700115  0.432
2018 Howard RJ, Fourati Z, Heusser SA, Hu H, Ruza RR, Sauguet L, Lindahl E, Delarue M. Structural Details of an Allosteric Mechanism for Bimodal Anesthetic Modulation of Pentameric Ligand-Gated Ion Channels Biophysical Journal. 114: 204a. DOI: 10.1016/J.Bpj.2017.11.1137  0.364
2017 Nemecz Á, Hu H, Fourati Z, Van Renterghem C, Delarue M, Corringer PJ. Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. Plos Biology. 15: e2004470. PMID 29281623 DOI: 10.1371/Journal.Pbio.2004470  0.366
2017 Delarue M, Koehl P, Orland H. Ab initio sampling of transition paths by conditioned Langevin dynamics. The Journal of Chemical Physics. 147: 152703. PMID 29055326 DOI: 10.1063/1.4985651  0.692
2017 Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW. String method solution of the gating pathways for a pentameric ligand-gated ion channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 28487483 DOI: 10.1073/Pnas.1617567114  0.707
2017 Menny A, Lefebvre SN, Schmidpeter PA, Drège E, Fourati Z, Delarue M, Edelstein SJ, Nimigean CM, Joseph D, Corringer PJ. Identification of a pre-active conformation of a pentameric channel receptor. Elife. 6. PMID 28294942 DOI: 10.7554/Elife.23955  0.354
2017 Koehl P, Poitevin F, Navaza R, Delarue MH. The renormalization group and its applications to generating coarse-grained models of large biological molecular systems. Journal of Chemical Theory and Computation. PMID 28170254 DOI: 10.1021/Acs.Jctc.6B01136  0.738
2017 Heusser SA, Howard RJ, Fourati Z, Delarue M, Lindahl E. Structural and Functional Evidence for Multi-Site Allostery Mediated by General Anesthetics in a Model Ligand-Gated Ion Channel Biophysical Journal. 112: 554a. DOI: 10.1016/J.Bpj.2016.11.2990  0.395
2017 Fourati Z, Ruza RR, Laverty D, Drege E, Delarue-Cochin S, Joseph D, Koehl P, Smart T, Delarue M. Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Shut State Biophysical Journal. 112: 553a. DOI: 10.1016/J.Bpj.2016.11.2984  0.589
2017 Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW. Gating Pathways for a Pentameric Ligand-Gated Ion Channel Solved by Atomistic String Method Simulations Biophysical Journal. 112: 475a. DOI: 10.1016/J.Bpj.2016.11.2553  0.68
2017 Hu H, Nemecz A, Fourati Z, Corringer P, Delarue M. Uncommon Features of a Novel γ-Proteobacterial Pentameric Ligand-Gated Ion Channel Revealed by its Crystal Structure Biophysical Journal. 112: 321a. DOI: 10.1016/J.Bpj.2016.11.1739  0.416
2016 Hsieh YC, Poitevin F, Delarue M, Koehl P. Comparative Normal Mode Analysis of the Dynamics of DENV and ZIKV Capsids. Frontiers in Molecular Biosciences. 3: 85. PMID 28083537 DOI: 10.3389/Fmolb.2016.00085  0.735
2016 Fourati Z, Ruza RR, Laverty D, Drège E, Delarue-Cochin S, Joseph D, Koehl P, Smart T, Delarue M. Barbiturates bind in the GLIC ion channel pore and cause inhibition by stabilizing a closed state. The Journal of Biological Chemistry. PMID 27986812 DOI: 10.1074/Jbc.M116.766964  0.628
2016 Poitevin F, Delarue M, Orland H. Beyond Poisson-Boltzmann: Numerical Sampling of Charge Density Fluctuations. The Journal of Physical Chemistry. B. 120: 6270-7. PMID 27075231 DOI: 10.1021/Acs.Jpcb.6B02650  0.729
2016 Laurent B, Murail S, Shahsavar A, Sauguet L, Delarue M, Baaden M. Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel. Structure (London, England : 1993). PMID 27021161 DOI: 10.1016/J.Str.2016.02.014  0.381
2016 Sauguet L, Fourati Z, Prangé T, Delarue M, Colloc'h N. Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel. Plos One. 11: e0149795. PMID 26910105 DOI: 10.1371/Journal.Pone.0149795  0.391
2016 Nemecz Á, Fourati Z, Hu H, Corringer P, Delarue M. Elucidating Proton Sensitivity and Activation in the Gloeobacter Violaceus Ligand-Gated Ion Channel Biophysical Journal. 110: 456a. DOI: 10.1016/J.Bpj.2015.11.2444  0.377
2016 Lev B, Murail S, Thomas M, Baaden M, Delarue M, Allen T. Allosteric Gating Pathways for the Pentameric Ligand-Gated Ion Channel Glic Biophysical Journal. 110: 456a. DOI: 10.1016/J.Bpj.2015.11.2442  0.421
2015 Gouge J, Rosario S, Romain F, Poitevin F, Béguin P, Delarue M. Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair. The Embo Journal. 34: 1126-42. PMID 25762590 DOI: 10.15252/Embj.201489643  0.667
2015 Fourati Z, Sauguet L, Delarue M. Genuine open form of the pentameric ligand-gated ion channel GLIC. Acta Crystallographica. Section D, Biological Crystallography. 71: 454-60. PMID 25760595 DOI: 10.1107/S1399004714026698  0.448
2015 Moraga-Cid G, Sauguet L, Huon C, Malherbe L, Girard-Blanc C, Petres S, Murail S, Taly A, Baaden M, Delarue M, Corringer PJ. Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure. Proceedings of the National Academy of Sciences of the United States of America. 112: 2865-70. PMID 25730860 DOI: 10.1073/Pnas.1417864112  0.381
2015 Sauguet L, Shahsavar A, Delarue M. Crystallographic studies of pharmacological sites in pentameric ligand-gated ion channels. Biochimica Et Biophysica Acta. 1850: 511-23. PMID 24836522 DOI: 10.1016/J.Bbagen.2014.05.007  0.373
2015 Fourati Z, Delarue M, Sauguet L. Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC Acta Crystallographica Section D-Biological Crystallography. DOI: 10.2210/Pdb4Qh1/Pdb  0.369
2014 Weinreb V, Li L, Chandrasekaran SN, Koehl P, Delarue M, Carter CW. Enhanced amino acid selection in fully evolved tryptophanyl-tRNA synthetase, relative to its urzyme, requires domain motion sensed by the D1 switch, a remote dynamic packing motif. The Journal of Biological Chemistry. 289: 4367-76. PMID 24394410 DOI: 10.1074/Jbc.M113.538660  0.603
2014 Sauguet L, Shahsavar A, Poitevin F, Huon C, Menny A, Nemecz À, Haouz A, Changeux JP, Corringer PJ, Delarue M. Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation. Proceedings of the National Academy of Sciences of the United States of America. 111: 966-71. PMID 24367074 DOI: 10.1073/Pnas.1314997111  0.723
2014 Koehl P, Poitevin F, Orland H, Delarue M. Modified Poisson-Boltzmann equations for characterizing biomolecular solvation Journal of Theoretical and Computational Chemistry. 13. DOI: 10.1142/S021963361440001X  0.785
2014 Poitevin F, Sauguet L, Murail S, Baaden M, Corringer P, Koehl P, Orland H, Delarue M. The Dipolar Solvent Model and Its Applications to the Structural Analysis of Low-(SAXS) and High-(CRYSTALLOGRAPHY) Resolution X-Ray Data Biophysical Journal. 106: 663a. DOI: 10.1016/J.Bpj.2013.11.3674  0.789
2014 Sauguet L, Shahsavar A, Poitevin F, Huon C, Menny A, Nemecz A, Haouz A, Changeux J, Corringer P, Delarue M. X-Ray Structures of the Open and Resting Forms of the Same Bacterial Pentameric Ligand-Gated Ion Channel Biophysical Journal. 106: 641a. DOI: 10.1016/J.Bpj.2013.11.3551  0.715
2014 Sauguet L, Shahsavar A, Poitevin F, Huon C, Menny A, nemecz a, Haouz A, Changeux J, Corringer P, Delarue M. Structural Basis for Allosteric Transitions in the GLIC Pentameric Proton-Gated Ion Channel Biophysical Journal. 106: 343a. DOI: 10.1016/J.Bpj.2013.11.1960  0.703
2014 Laurent B, Murail S, Sauguet L, Delarue M, Baaden M. Probing Pentameric Ligand-Gated Ion Channels with Bromoform Reveals Many Interconnected Anesthetic Binding Sites Biophysical Journal. 106: 342a. DOI: 10.1016/J.Bpj.2013.11.1956  0.358
2013 Gouge J, Rosario S, Romain F, Beguin P, Delarue M. Structures of intermediates along the catalytic cycle of terminal deoxynucleotidyltransferase: dynamical aspects of the two-metal ion mechanism. Journal of Molecular Biology. 425: 4334-52. PMID 23856622 DOI: 10.1016/J.Jmb.2013.07.009  0.344
2013 Sauguet L, Howard RJ, Malherbe L, Lee US, Corringer PJ, Harris RA, Delarue M. Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel. Nature Communications. 4: 1697. PMID 23591864 DOI: 10.1038/Ncomms2682  0.34
2013 Smaoui MR, Poitevin F, Delarue M, Koehl P, Orland H, Waldispühl J. Computational assembly of polymorphic amyloid fibrils reveals stable aggregates. Biophysical Journal. 104: 683-93. PMID 23442919 DOI: 10.1016/J.Bpj.2012.12.037  0.768
2013 Sauguet L, Poitevin F, Murail S, Van Renterghem C, Moraga-Cid G, Malherbe L, Thompson AW, Koehl P, Corringer PJ, Baaden M, Delarue M. Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels. The Embo Journal. 32: 728-41. PMID 23403925 DOI: 10.1038/Emboj.2013.17  0.758
2013 Howard RJ, Sauguet L, Broemstrup T, Murail S, Lee US, Horani S, Trudell JR, Corringer P, Lindahl E, Delarue M, Harris RA. Alcohol and Anesthetic Binding to Pentameric Ligand-Gated Ion Channels Revealed in a Prokaryotic Model System Biophysical Journal. 104: 635a-636a. DOI: 10.1016/J.Bpj.2012.11.3512  0.329
2013 Sauguet L, Howard R, Malherbe L, Lee US, Corringer P, Harris RA, Delarue M. X-Ray Structures of an Interfacial Potentiating Site for Alcohols and Anesthetics in a Pentameric Ligand-Gated Ion Channel Biophysical Journal. 104: 208a. DOI: 10.1016/J.Bpj.2012.11.1175  0.327
2012 Gouge J, Ralec C, Henneke G, Delarue M. Molecular recognition of canonical and deaminated bases by P. abyssi family B DNA polymerase. Journal of Molecular Biology. 423: 315-36. PMID 22902479 DOI: 10.1016/J.Jmb.2012.07.025  0.347
2012 Corringer PJ, Poitevin F, Prevost MS, Sauguet L, Delarue M, Changeux JP. Structure and pharmacology of pentameric receptor channels: from bacteria to brain. Structure (London, England : 1993). 20: 941-56. PMID 22681900 DOI: 10.1016/J.Str.2012.05.003  0.702
2012 Prevost MS, Sauguet L, Nury H, Van Renterghem C, Huon C, Poitevin F, Baaden M, Delarue M, Corringer PJ. A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nature Structural & Molecular Biology. 19: 642-9. PMID 22580559 DOI: 10.1038/Nsmb.2307  0.701
2012 Prevost M, Sauguet L, Nury H, Van Renterghem C, Huon C, Poitevin F, Baaden M, Delarue M, Corringer P. Cysteine Crosslinking to Study Allosteric Transitions of a Bacterial Homolog of Pentameric Channel-Receptors Biophysical Journal. 102: 113a. DOI: 10.1016/J.Bpj.2011.11.637  0.712
2012 Corringer P, Nury H, Van Renterghem C, Yeng Y, Tran A, Baaden M, Changeux J, Sonner JM, Delarue M. Allosteric Transition and Pharmacological Modulation of Pentameric Channel-Receptors: The Case of General Anesthetics Biophysical Journal. 102: 7a. DOI: 10.1016/J.Bpj.2011.11.060  0.417
2011 Koehl P, Orland H, Delarue M. Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling. The Journal of Chemical Physics. 135: 055104. PMID 21823735 DOI: 10.1063/1.3621831  0.71
2011 Poitevin F, Orland H, Doniach S, Koehl P, Delarue M. AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models. Nucleic Acids Research. 39: W184-9. PMID 21665925 DOI: 10.1093/Nar/Gkr430  0.778
2011 Nury H, Van Renterghem C, Weng Y, Tran A, Baaden M, Dufresne V, Changeux JP, Sonner JM, Delarue M, Corringer PJ. X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel. Nature. 469: 428-31. PMID 21248852 DOI: 10.1038/Nature09647  0.42
2011 Nury H, Poitevin F, Van Renterghem C, Allen T, Changeux J, Corringer P, Delarue M, Baaden M. Conformational Dynamics in a Nicotinic Receptor Homologue Probed by Simulations Biophysical Journal. 100: 272a. DOI: 10.1016/J.Bpj.2010.12.1695  0.701
2010 Nury H, Poitevin F, Van Renterghem C, Changeux JP, Corringer PJ, Delarue M, Baaden M. One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue. Proceedings of the National Academy of Sciences of the United States of America. 107: 6275-80. PMID 20308576 DOI: 10.1073/Pnas.1001832107  0.705
2010 Koehl P, Delarue M. AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation. The Journal of Chemical Physics. 132: 064101. PMID 20151727 DOI: 10.1063/1.3298862  0.571
2010 Corringer PJ, Baaden M, Bocquet N, Delarue M, Dufresne V, Nury H, Prevost M, Van Renterghem C. Atomic structure and dynamics of pentameric ligand-gated ion channels: new insight from bacterial homologues. The Journal of Physiology. 588: 565-72. PMID 19995852 DOI: 10.1113/Jphysiol.2009.183160  0.422
2010 Nury H, Bocquet N, Le Poupon C, Raynal B, Haouz A, Corringer PJ, Delarue M. Crystal structure of the extracellular domain of a bacterial ligand-gated ion channel. Journal of Molecular Biology. 395: 1114-27. PMID 19917292 DOI: 10.1016/J.Jmb.2009.11.024  0.419
2009 Romain F, Barbosa I, Gouge J, Rougeon F, Delarue M. Conferring a template-dependent polymerase activity to terminal deoxynucleotidyltransferase by mutations in the Loop1 region. Nucleic Acids Research. 37: 4642-56. PMID 19502493 DOI: 10.1093/Nar/Gkp460  0.317
2009 Koehl P, Orland H, Delarue M. Computing ion solvation free energies using the dipolar Poisson model. The Journal of Physical Chemistry. B. 113: 5694-7. PMID 19385689 DOI: 10.1021/Jp9010907  0.702
2009 Duclert-Savatier N, Poggi L, Miclet E, Lopes P, Ouazzani J, Chevalier N, Nilges M, Delarue M, Stoven V. Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation. Journal of Molecular Biology. 388: 1009-21. PMID 19345229 DOI: 10.1016/J.Jmb.2009.03.063  0.341
2009 Delfosse V, Girard E, Birck C, Delmarcelle M, Delarue M, Poch O, Schultz P, Mayer C. Structure of the archaeal pab87 peptidase reveals a novel self-compartmentalizing protease family. Plos One. 4: e4712. PMID 19266066 DOI: 10.1371/Journal.Pone.0004712  0.316
2009 Koehl P, Orland H, Delarue M. Beyond the Poisson-Boltzmann model: modeling biomolecule-water and water-water interactions. Physical Review Letters. 102: 087801. PMID 19257790 DOI: 10.1103/Physrevlett.102.087801  0.698
2009 Laowanapiban P, Kapustina M, Vonrhein C, Delarue M, Koehl P, Carter CW. Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations. Proceedings of the National Academy of Sciences of the United States of America. 106: 1790-5. PMID 19174517 DOI: 10.1073/Pnas.0812752106  0.624
2009 Bocquet N, Nury H, Baaden M, Le Poupon C, Changeux JP, Delarue M, Corringer PJ. X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation. Nature. 457: 111-4. PMID 18987633 DOI: 10.1038/Nature07462  0.421
2009 Koehl P, Orland H, Delarue M. Solvation of ion pairs: The poisson-langevin model 2009 International Conference On Signal Processing Systems, Icsps 2009. 917-923. DOI: 10.1109/ICSPS.2009.128  0.693
2008 Azuara C, Orland H, Bon M, Koehl P, Delarue M. Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics. Biophysical Journal. 95: 5587-605. PMID 18820239 DOI: 10.1529/Biophysj.108.131649  0.717
2008 Delarue M. Dealing with structural variability in molecular replacement and crystallographic refinement through normal-mode analysis. Acta Crystallographica. Section D, Biological Crystallography. 64: 40-8. PMID 18094466 DOI: 10.1107/S0907444907053516  0.351
2007 Franklin J, Koehl P, Doniach S, Delarue M. MinActionPath: maximum likelihood trajectory for large-scale structural transitions in a coarse-grained locally harmonic energy landscape. Nucleic Acids Research. 35: W477-82. PMID 17545201 DOI: 10.1093/Nar/Gkm342  0.561
2007 Delarue M, Duclert-Savatier N, Miclet E, Haouz A, Giganti D, Ouazzani J, Lopez P, Nilges M, Stoven V. Three dimensional structure and implications for the catalytic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei. Journal of Molecular Biology. 366: 868-81. PMID 17196981 DOI: 10.1016/J.Jmb.2006.11.063  0.341
2006 Lindahl E, Azuara C, Koehl P, Delarue M. NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis. Nucleic Acids Research. 34: W52-6. PMID 16845062 DOI: 10.1093/Nar/Gkl082  0.602
2006 Azuara C, Lindahl E, Koehl P, Orland H, Delarue M. PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics. Nucleic Acids Research. 34: W38-42. PMID 16845031 DOI: 10.1093/Nar/Gkl072  0.722
2006 Loth K, Abergel D, Pelupessy P, Delarue M, Lopes P, Ouazzani J, Duclert-Savatier N, Nilges M, Bodenhausen G, Stoven V. Determination of dihedral Psi angles in large proteins by combining NH(N)/C(alpha)H(alpha) dipole/dipole cross-correlation and chemical shifts. Proteins. 64: 931-9. PMID 16786593 DOI: 10.1002/Prot.21063  0.304
2005 Lindahl E, Delarue M. Refinement of docked protein-ligand and protein-DNA structures using low frequency normal mode amplitude optimization. Nucleic Acids Research. 33: 4496-506. PMID 16087736 DOI: 10.1093/Nar/Gki730  0.364
2005 Taly A, Delarue M, Grutter T, Nilges M, Le Novère N, Corringer PJ, Changeux JP. Normal mode analysis suggests a quaternary twist model for the nicotinic receptor gating mechanism. Biophysical Journal. 88: 3954-65. PMID 15805177 DOI: 10.1529/Biophysj.104.050229  0.363
2004 Delarue M, Dumas P. On the use of low-frequency normal modes to enforce collective movements in refining macromolecular structural models. Proceedings of the National Academy of Sciences of the United States of America. 101: 6957-62. PMID 15096585 DOI: 10.1073/Pnas.0400301101  0.353
2003 Fioravanti E, Haouz A, Ursby T, Munier-Lehmann H, Delarue M, Bourgeois D. Mycobacterium tuberculosis thymidylate kinase: structural studies of intermediates along the reaction pathway. Journal of Molecular Biology. 327: 1077-92. PMID 12662932 DOI: 10.1016/S0022-2836(03)00202-X  0.384
2002 Delarue M, Sanejouand YH. Simplified normal mode analysis of conformational transitions in DNA-dependent polymerases: the elastic network model. Journal of Molecular Biology. 320: 1011-24. PMID 12126621 DOI: 10.1016/S0022-2836(02)00562-4  0.342
2002 Delarue M, Boulé JB, Lescar J, Expert-Bezançon N, Jourdan N, Sukumar N, Rougeon F, Papanicolaou C. Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase. The Embo Journal. 21: 427-39. PMID 11823435 DOI: 10.1093/Emboj/21.3.427  0.341
2001 Li de la Sierra I, Munier-Lehmann H, Gilles AM, Bârzu O, Delarue M. X-ray structure of TMP kinase from Mycobacterium tuberculosis complexed with TMP at 1.95 A resolution. Journal of Molecular Biology. 311: 87-100. PMID 11469859 DOI: 10.1006/Jmbi.2001.4843  0.352
2000 Delarue M, Orland H. General formalism for phase combination and phase refinement: a statistical thermodynamics approach in reciprocal space. Acta Crystallographica. Section a, Foundations of Crystallography. 56: 562-74. PMID 11058843 DOI: 10.1107/S0108767300010242  0.55
2000 Bada M, Walther D, Arcangioli B, Doniach S, Delarue M. Solution structural studies and low-resolution model of the Schizosaccharomyces pombe sap1 protein. Journal of Molecular Biology. 300: 563-74. PMID 10884352 DOI: 10.1006/Jmbi.2000.3854  0.373
2000 Rees B, Webster G, Delarue M, Boeglin M, Moras D. Aspartyl tRNA-synthetase from Escherichia coli: Flexibility and adaptability to the substrates Journal of Molecular Biology. 299: 1157-1164. PMID 10873442 DOI: 10.1006/Jmbi.2000.3792  0.538
1998 Koehl P, Delarue M. Building protein lattice models using self-consistent mean field theory Journal of Chemical Physics. 108: 9540-9549. DOI: 10.1063/1.476402  0.609
1996 Poch O, Delarue M. Converting sequence block alignments into structural insights. Methods in Enzymology. 266: 662-80. PMID 8743713 DOI: 10.1016/S0076-6879(96)66042-X  0.318
1996 Koehl P, Delarue M. Mean-field minimization methods for biological macromolecules Current Opinion in Structural Biology. 6: 222-226. PMID 8728655 DOI: 10.1016/S0959-440X(96)80078-9  0.615
1996 Delarue M. Partition of aminoacyl-tRNA synthetases in two different structural classes dating back to early metabolism: implications for the origin of the genetic code and the nature of protein sequences. Journal of Molecular Evolution. 41: 703-11. PMID 8587114 DOI: 10.1007/Bf00173148  0.305
1995 Delarue M, Koehl P. Atomic environment energies in proteins defined from statistics of accessible and contact surface areas Journal of Molecular Biology. 249: 675-690. PMID 7783220 DOI: 10.1006/Jmbi.1995.0328  0.582
1995 Koehl P, Delarue M. A self consistent mean field approach to simultaneous gap closure and side-chain positioning in homology modelling Nature Structural Biology. 2: 163-170. PMID 7538429 DOI: 10.1038/Nsb0295-163  0.586
1994 Delarue M, Moras D. The aminoacyl-tRNA synthetase family: modules at work. Bioessays : News and Reviews in Molecular, Cellular and Developmental Biology. 15: 675-87. PMID 8274143 DOI: 10.1002/Bies.950151007  0.539
1994 Koehl P, Delarue M. Application of a self-consistent mean field theory to predict protein side-chains conformation and estimate their conformational entropy Journal of Molecular Biology. 239: 249-275. PMID 8196057 DOI: 10.1006/Jmbi.1994.1366  0.603
1994 Poterszman A, Delarue M, Thierry JC, Moras D. Synthesis and recognition of aspartyl-adenylate by Thermus thermophilus aspartyl-tRNA synthetase. Journal of Molecular Biology. 244: 158-67. PMID 7966328 DOI: 10.1006/Jmbi.1994.1716  0.52
1994 Koehl P, Delarue M. Polar and nonpolar atomic environments in the protein core: Implications for folding and binding Proteins: Structure, Function and Genetics. 20: 264-278. PMID 7892175 DOI: 10.1002/Prot.340200307  0.616
1994 Delarue M, Poterszman A, Nikonov S, Garber M, Moras D, Thierry J. Crystal structure of a prokaryotic aspartyl tRNA-synthetase. The Embo Journal. 13: 3219-3229. DOI: 10.1002/J.1460-2075.1994.Tb06623.X  0.536
1993 Mourey L, Samama JP, Delarue M, Petitou M, Choay J, Moras D. Crystal structure of cleaved bovine antithrombin III at 3.2 A resolution. Journal of Molecular Biology. 232: 223-41. PMID 8331659 DOI: 10.1006/Jmbi.1993.1378  0.547
1993 Koehl P, Delarue M. Environment energy and protein stability Protein Engineering, Design and Selection. 6: 128. DOI: 10.1093/protein/6.Supplement.128-b  0.504
1992 Reshetnikova L, Chernaya M, Ankilova V, Lavrik O, Delarue M, Thierry JC, Moras D, Safro M. Three-dimensional structure of phenylalanyl-transfer RNA synthetase from Thermus thermophilus HB8 at 0.6-nm resolution European Journal of Biochemistry. 208: 411-417. PMID 1521534 DOI: 10.1111/J.1432-1033.1992.Tb17202.X  0.512
1991 Mourey L, Samama JP, Delarue M, Choay J, Lormeau JC, Petitou M, Moras D. Antithrombin III: structural and functional aspects. Biochimie. 72: 599-608. PMID 2126464 DOI: 10.1016/0300-9084(90)90123-X  0.525
1990 Samama JP, Delarue M, Mourey L, Choay J, Moras D. Crystallization and preliminary crystallographic data for bovine antithrombin III. Journal of Molecular Biology. 210: 877-9. PMID 2614848 DOI: 10.1016/0022-2836(89)90116-2  0.492
1990 Eriani G, Delarue M, Poch O, Gangloff J, Moras D. Partition of tRNA synthetases into two classes based on mutually exclusive sets of sequence motifs. Nature. 347: 203-6. PMID 2203971 DOI: 10.1038/347203A0  0.501
1990 Delarue M, Poch O, Tordo N, Moras D, Argos P. An attempt to unify the structure of polymerases. Protein Engineering. 3: 461-7. PMID 2196557 DOI: 10.1093/Protein/3.6.461  0.485
1990 Delarue M, Samama J, Mourey L, Moras D. Crystal structure of bovine antithrombin III Acta Crystallographica Section B Structural Science. 46: 550-556. DOI: 10.1107/S0108768190001689  0.489
1984 Asseline U, Toulme F, Thuong N, Delarue M, Montenay-Garestier T, Hélène C. Oligodeoxynucleotides covalently linked to intercalating dyes as base sequence-specific ligands. Influence of dye attachment site. The Embo Journal. 3: 795-800. DOI: 10.1002/J.1460-2075.1984.Tb01887.X  0.301
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