Publications

Export 813 results:
Author [ Title(Desc)] Type Year
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D
Altis A, Nguyen PHoang, Hegger R, Stock G.  2007.  Dihedral angle principal component analysis of molecular dynamics simulations. J. Chem. Phys.. 126
Nguyen PHoang, Sterpone F, Pouplana R, Derreumaux P, Campanera JM.  2016.  Dimerization Mechanism of Alzheimer A beta(40) Peptides: The High Content of Intrapeptide-Stabilized Conformations in A2V and A2T Heterozygous Dimers Retards Amyloid Fibril Formation. J. Phys. Chem. B. 120:12111–12126.
Phuong NH, Germano G, Schmid F.  2002.  The direct correlation function in nematic liquid crystals from computer simulation. Comput. Phys. Commun.. 147:350–353.
Stirnemann G, Laage D.  2010.  Direct evidence of angular jumps during water reorientation through two-dimensional infrared anisotropy. J. Phys. Chem. Lett.. 1:1511–1516.
Mazur AK, Nguyen T-S, Gladyshev E.  2020.  Direct Homologous dsDNA-dsDNA Pairing: How, Where, and Why? J Mol Biol. 432(3):737-744.
Sterpone F, Spanu L, Ferraro L, Sorella S, Guidoni L.  2008.  Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach. J Chem Theo Comp. 4:1428–1434.
Cote S, Laghaei R, Derreumaux P, Mousseau N.  2012.  Distinct Dimerization for Various Alloforms of the Amyloid-Beta Protein: A beta(1-40), A beta(1-42), and A beta(1-40)(D23N). J. Phys. Chem. B. 116:4043–4055.
Cote S, Derreumaux P, Mousseau N.  2011.  Distinct Morphologies for Amyloid Beta Protein Monomer: A beta(1-40), A beta(1-42), and A beta(1-40)(D23N). J. Chem. Theory Comput.. 7:2584–2592.
Prévost C, Boudvillain M, Beudaert P, Leng M, Lavery R, Vovelle F.  1997.  Distortions of the DNA double helix induced by 1,3-trans-diamminedichloroplatinum(II)-intrastrand cross-link: An internal coordinate molecular modeling study. J. Biomol. Struct. Dyn.. 14:703–714.
Férey N, Gros P.-E., Hérisson J., Gherbi R..  2004.  A Distributed Multimedia Database Visualization within An Immersive Environment for Bioinformatics. International Symposium on Multimedia Software Engineering (ISMSE 2004 - IEEE). :156–159.
Drevelle A, Urvoas A, Ben Hamida-Rebai M, Van Vooren G, Nicaise M, Valerio-Lepiniec M, Desmadril M, Robert CH, Minard P.  2009.  Disulfide bond substitution by directed evolution in an engineered binding-protein scaffold.. Chembiochem. 10:1349–1359.
Wang YJian, Rico-Lastres P, Lezamiz A, Mora M, Solsona C, Stirnemann G, Garcia-Manyes S.  2018.  DNA Binding Induces a Nanomechanical Switch in the RRM1 Domain of TDP-43. J Phys Chem Lett. 9:3800-3807.
Mazur AK.  2002.  DNA dynamics in a water drop without counterions. J. Am. Chem. Soc.. 124:14707–14715.
Mazur AK, Maaloum M.  2014.  DNA flexibility on short length scales probed by atomic force microscopy. Phys. Rev. Lett.. 112:068104.
Hérisson J., Gros P.-E., Férey N, Magneau O., Gherbi R..  2004.  DNA in Virtuo: Visualization and Exploration of 3D Genomic Structures. International Conference on Virtual Reality, Computer Graphics, Visualization and Interaction (Afrigraph 2005 - ACM-SIGRAPH sponsored).
Hérisson J., Gros P.-E., Férey N, Magneau O., Gherbi R..  2004.  DNA in Virtuo: Visualization and Virtual Manipulation of 3D Genomic Structures. International CODATA Conference, The Information Society: New Horizons for Science.
Bastard K, Thureau A, Lavery R, Prévost C.  2003.  Docking macromolecules with flexible segments. J. Comput. Chem.. 24:1910–20.
Sacquin-Mora S, Prévost C.  2015.  Docking Peptides on Proteins: How to Open a Lock, in the Dark, with a Flexible Key. Structure. 23:1373–1374.
Cailliez F, Stirnemann G, Boutin A, Demachy I, Fuchs AH.  2008.  Does water condense in hydrophobic cavities? A molecular simulation study of hydration in heterogeneous nanopores J. Phys. Chem. C. 112:10435–10445.
Huebert B.A, Robert C.H.  1985.  Dry deposition of nitric acid to grass. J. Geophys. Res.. 90:2085–2090.
Sterpone F, Ceccarelli M, Marchi M.  2001.  Dynamics of hydration in hen egg white lysozyme. J. Mol. Biol.. 311:409–19.
Stirnemann G, Sterpone F, Laage D.  2011.  Dynamics of water in concentrated solutions of amphiphiles: Key roles of local structure and aggregation. J. Phys. Chem. B. 115:3254–3262.
Delalande O, Molza A-E, Morais RDos Santos, Chéron A, Pollet É, Raguenes-Nicol C, Tascon C, Giudice E, Guilbaud M, Nicolas A et al..  2018.  Dystrophin's central domain forms a complex filament that becomes disorganized by in-frame deletions.. J Biol Chem. 293(18):6637-6646.
E
Gerencser L., Taly A, Baciou L., Maroti P., Sebban P..  2002.  Effect of binding of Cd2+ on bacterial reaction center mutants: proton-transfer uses interdependent pathways. Biochemistry. 41:9132–9138.
Mayer-Jung C., Moras D., Timsit Y.  1997.  Effect of cytosine methylation on DNA-DNA recognition at CpG steps. J. Mol. Biol.. 270:328–335.

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