Publications

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Kobus M, Lieder M, Nguyen PHoang, Stock G.  2011.  Simulation of transient infrared spectra of a photoswitchable peptide. J. Chem. Phys.. 135
Baaden M.  2010.  Simulations numériques de systèmes biologiques complexes : dynamique, structure et fonction de transporteurs, canaux et enzymes.
Hubert P, Sawma P, Duneau J-P, Khao J, Hénin J, Bagnard D, Sturgis J.  2010.  Single-spanning transmembrane domains in cell growth and cell-cell interactions: More than meets the eye? Cell Adh. Migr.. 4:313–324.
Kamashev DE, Mazur AK.  2004.  Single-stranded breaks relax intrinsic curvature in DNA? Biochemistry. 43:8160–8168.
Lu D, Danilowicz C, Tashjian TF, Prévost C, Godoy VG, Prentiss M.  2019.  Slow extension of the invading DNA strand in a D-loop formed by RecA-mediated homologous recombination may enhance recognition of DNA homology. J Biol Chem. 294:8606-8616.
Lu Y, Shi X-F, Salsbury FR, Derreumaux P.  2017.  Small static electric field strength promotes aggregation-prone structures in amyloid-β(29-42).. J Chem Phys. 146(14):145101.
Lesage A., Lelièvre T., Stoltz G., Hénin J.  2017.  Smoothed biasing forces yield unbiased free energies with the extended-system Adaptive Biasing Force method. J. Phys. Chem. B. 121(15):3676–3685.
Robert CH, Janin J.  1998.  A soft, mean–field potential derived from crystal contacts for predicting protein–protein interactions. J. Mol. Biol.. 283:1037–1047.
Bornet O., Prévost C, Vovelle F., Chassignol M., Thuong N.T, Lancelot G..  1995.  Solution structure of oligonucleotides covalently linked to a psoralen derivative.. Nucleic Acids Res.. 23:788–795.
Schmid F, Phuong NH.  2002.  Spatial order in liquid crystals: Computer simulations of systems of ellipsoids. MORPHOLOGY OF CONDENSED MATTER: PHYSICS AND GEOMETRY OF SPATIALLY COMPLEX SYSTEMS. 600:172–186.
Sterpone F, Briganti G, Pierleoni C.  2009.  Sphere versus cylinder: the effect of packing on the structure of nonionic C12E6 micelles. Langmuir. 25:8960–7.
Chiche L, Heitz A, Gelly JC, Gracy J, Chau PTT, Ha PT, Hernandez JF, Le-Nguyen D.  2004.  Squash inhibitors: From structural motifs to macrocyclic knottins. Current Protein \& Peptide Science. 5:341–349.
Katava M, Kalimeri M, Stirnemann G, Sterpone F.  2016.  Stability and Function at High Temperature. What Makes a Thermophilic GTPase Different from Its Mesophilic Homologue. J. Phys. Chem. B. 120:2721–2730.
Gnutt D, Timr S, Ahlers J, König B, Manderfeld E, Heyden M, Sterpone F, Ebbinghaus S.  2019.  Stability Effect of Quinary Interactions Reversed by Single Point Mutations. Journal of the American Chemical Society. 141:4660-4669.
Ngo STung, Nguyen PHoang, Derreumaux P.  2020.  Stability of Aβ11-40 Trimers with Parallel and Antiparallel β-Sheet Organizations in a Membrane-Mimicking Environment by Replica Exchange Molecular Dynamics Simulation. The Journal of Physical Chemistry B.
Mazur AK.  2008.  Statistics of time-limited ensembles of bent DNA conformations. J. Phys. Chem. B. 112:4975–4982.
Chakraborty D, Taly A, Sterpone F.  2015.  Stay Wet, Stay Stable? How Internal Water Helps the Stability of Thermophilic Proteins The Journal of Physical Chemistry B. 119:12760–12770.
Cole RB, Prévost C, Tabet JC.  1989.  Stereospecific Ion-Molecule reactions in the collision cell induced by nucleophilic gas phase reagents on CI/NH4+ protonated diastereoisomeric tetracyclic terpenes.. Advances in Mass Spectrometry. 11:1056.
Salari R, Joseph T, Lohia R, Hénin J, Brannigan G.  2018.  A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol.. Journal of Chemical Theory and Computation. 14:6560–6573.
Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW.  2017.  String method solution of the gating pathways for a pentameric ligand-gated ion channel.. Proc Natl Acad Sci U S A. 114(21):E4158-E4167.
De Simone A, Zagari A, Derreumaux P.  2007.  Structural and hydration properties of the partially unfolded states of the prion protein. Biophys. J.. 93:1284–1292.
Montagna M, Sterpone F, Guidoni L.  2012.  Structural and Spectroscopic Properties of Water around Small Hydrophobic Solutes. The Journal of Physical Chemistry B. 116:11695–11700.
Baaden M, Delarue M..  2013.  Structural basis for ion permeation in a pentameric ligand-gated ion channel revealed by x-ray crystallograph.
Zirah S, Kozin SA, Mazur AK, Blond A, Cheminant M, Segalas-Milazzo I, Debey P, Rebuffat S.  2006.  Structural changes of region 1-16 of the Alzheimer disease amyloid beta-peptide upon zinc binding and in vitro aging. J. Biol. Chem.. 281:2151–2161.
Floquet N, Hery-Huynh S, Dauchez M, Derreumaux P, Tamburro AM, Alix AJP.  2004.  Structural characterization of VGVAPG, an elastin-derived peptide. Biopolymers. 76:266–280.

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