Publications

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Journal Article
Zhang Y, Stirnemann G, Hynes JT, Laage D.  2020.  Water dynamics at electrified graphene interfaces: a jump model perspective. Phys Chem Chem Phys.
Derreumaux P, ZHANG GH, SCHLICK T, BROOKS B.  1994.  A TRUNCATED NEWTON MINIMIZER ADAPTED FOR CHARMM AND BIOMOLECULAR APPLICATIONS. J. Comput. Chem.. 15:532–552.
Leuba S.H, Yang G., Robert C., Samori B., van Holde K., Zlatanova J., Bustamante C..  1994.  Three-dimensional structure of extended chromatin fibers as revealed by tapping-mode scanning force microscopy. Proc. Natl. Acad. Sci. U.s.a.. 91:11621–11625.
Stadler A.M, Garvey C.J, Bocahut A., Sacquin-Mora S, Digel I., Schneider G.J, Natali F., Artmann G.M, Zaccai G..  2012.  Thermal fluctuations of haemoglobin from different species: adaptation to temperature via conformational dynamics. J. R. Soc. Interface. 9:2845–2855.
Zhang Y., Baaden M, Yan J., Shao J., Qiu S., Wu Y., Ding Y..  2010.  The molecular recognition mechanism for superoxide dismutase presequence binding to the mitochondrial protein import receptor Tom20 from Oryza sativa involves an LRTLA motif. J. Phys. Chem. B. 114:13839–13846.
Chebaro Y, Jiang P, Zang T, Mu Y, Nguyen PHoang, Mousseau N, Derreumaux P.  2012.  Structures of A beta 17-42 Trimers in Isolation and with Five Small-Molecule Drugs Using a Hierarchical Computational Procedure. J. Phys. Chem. B. 116:8412–8422.
Backus EHG, Nguyen PHoang, Botan V, Moretto A, Crisma M, Toniolo C, Zerbe O, Stock G, Hamm P.  2008.  Structural Flexibility of a Helical Peptide Regulates Vibrational Energy Transport Properties. J. Phys. Chem. B. 112:15487–15492.
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.
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.
Saladin A, Fiorucci S, Poulain P, Prévost C, Zacharias M.  2009.  PTools: an opensource molecular docking library.. Bmc Struct. Biol.. 9:27–37.
Kamashev D, Oberto J, Serebryakova M, Gorbachev A, Zhukova Y, Levitsk, ii S, Mazur AK, Govorun V.  2011.  Mycoplasma gallisepticum produces a histone-like protein that recognizes base mismatches in DNA. Biochemistry. 50:8692–8702.
Zhang T, Zhang J, Derreumaux P, Mu Y.  2013.  Molecular Mechanism of the Inhibition of EGCG on the Alzheimer A beta(1-42) Dimer. J. Phys. Chem. B. 117:3993–4002.
Zhang T, Zhang J, Derreumaux P, Mu Y.  2013.  Molecular Mechanism of the Inhibition of EGCG on the Alzheimer A beta(1-42) Dimer. J. Phys. Chem. B. 117:3993–4002.
Saladin A, Amourda C., Poulain P., Férey N, Baaden M, Zacharias M, Delalande O., Prévost C.  2010.  Modeling the early stage of DNA sequence recognition within RecA nucleoprotein filaments. Nucleic Acids Res.. 38:6313–6323.
Xu W, Zhang C, Derreumaux P, Graslund A, Morozova-Roche L, Mu Y.  2011.  Intrinsic Determinants of A beta(12-24) pH-Dependent Self-Assembly Revealed by Combined Computational and Experimental Studies. Plos One. 6:e24329.
Boyer B, Ezelin J, Poulain P, Saladin A, Zacharias M, Robert CH, Prévost C.  2015.  An integrative approach to the study of filamentous oligomeric assemblies, with application to RecA. Plos One. in press:e0116414.
Stirnemann G, Kang S-gu, Zhou R, Berne BJ.  2014.  How force unfolding differs from chemical denaturation.. Proc. Natl. Acad. Sci. U.s.a. 111:3413–8.
Ziolkowska K, Derreumaux P, Folichon M, Pellegrini O, Regnier P, , Hajnsdorf E.  2006.  Hfq variant with altered RNA binding functions. Nucleic Acids Res.. 34:709–720.
Qiu Y, Zhao Y, Becker M, John S, Parekh BS, Huang S, Hendarwanto A, Martinez ED, Chen Y, Lu H et al..  2006.  HDAC1 acetylation is linked to progressive modulation of steroid receptor-induced gene transcription.. Mol. Cell. 22:669–679.
Zaffagnini M, Marchand CH, Malferrari M, Murail S, Bonacchi S, Genovese D, Montalti M, Venturoli G, Falini G, Baaden M et al..  2019.  Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.. Proc Natl Acad Sci U S A. 116(51):26057-26065.
Zhang T, Nguyen PHoang, Nasica-Labouze J, Mu Y, Derreumaux P.  2015.  Folding Atomistic Proteins in Explicit Solvent Using Simulated Tempering. J. Phys. Chem. B. 119:6941–6951.
Katava M, Stirnemann G, Zanatta M, Capaccioli S, Pachetti M, Ngai KL, Sterpone F, Paciaroni A.  2017.  Critical structural fluctuations of proteins upon thermal unfolding challenge the Lindemann criterion. Proc Natl Acad Sci U S A. 114:9361-9366.
Dragelj J, Karafoulidi-Retsou C, Katz S, Lenz O, Zebger I, Caserta G, Sacquin-Mora S, Mroginski MAndrea.  2023.  Conformational and mechanical stability of the isolated large subunit of membrane-bound [NiFe]-hydrogenase from Cupriavidus necator. Frontiers in Microbiology. 13
Fleishman SJ, Whitehead TA, Strauch E-M, Corn JE, Qin S, Zhou H-X, Mitchell JC, Demerdash ONA, Takeda-Shitaka M, Terashi G et al..  2011.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.
Fleishman SJ, Whitehead TA, Strauch E-M, Corn JE, Qin S, Zhou H-X, Mitchell JC, Demerdash ONA, Takeda-Shitaka M, Terashi G et al..  2011.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.

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