Nombre de documents

37

Publications Isabelle Navizet


Article dans une revue28 documents

  • Stefan Schramm, Isabelle Navizet, Panče Naumov, Naba K. Nath, Romain Berraud-Pache, et al.. The Light Emitter of the 2-Coumar­anone Chemiluminescence: Theoretical and Experimental Elucidation of a Possible Model for Bioluminescent Systems. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2016, 2016 (4), pp.678-681. <10.1002/ejoc.201501515>. <hal-01334763>
  • S. Schramm, Luiz Monteiro Leite Ciscato, Pascal Oeseau, Reimar Krieg, Jan Richter, et al.. Investigations on the synthesis and chemiluminescenceof novel 2-coumaranones - II. ARKIVOC - Online Journal of Organic Chemistry, Arkat USA Inc, 2015, 2015 (5), pp.44-59. <10.3998/ark.5550190.p009.044>. <hal-01138602>
  • I. Fdez Galvan, H.-Y. Xiao, Isabelle Navizet, Y.-J. Liu, R. Lindh. S0 -> S3 transition in recombination products of photodissociated dihalomethanes. Molecular Physics, Taylor & Francis, 2014, 112 (5-6), pp.575-582. <10.1080/00268976.2013.832429>. <hal-01067659>
  • C. Zipp, J. Michael, M. Fernandes, S. Mathura, C. B. Perry, et al.. The synthesis of a corrole analogue of aquacobalamin (vitamin B12a) and its ligand substitution reactions.. Inorganic Chemistry, American Chemical Society, 2014, 53 (9), pp.4418-29. <10.1021/ic5000793>. <hal-01067672>
  • S.-F. Chen, Isabelle Navizet, R. Lindh, Y.-J. Liu, N. Ferré. Hybride QM/MM Simulations of the Obelin Bioluminescence and Fluorescence Reveal an Unexpected Light Emitter. Journal of Physical Chemistry B, American Chemical Society, 2014, 118 (11), pp.2896-2903. <10.1021/jp412198w>. <hal-01067667>
  • S. Schramm, D. Weiss, Isabelle Navizet, D. Roca-Sanjuan, H. Brandl, et al.. Investigations on the synthesis and chemiluminescence of novel 2-coumaranones. ARKIVOC - Online Journal of Organic Chemistry, Arkat USA Inc, 2013, iii (1), pp.174-188. <hal-00836192>
  • Isabelle Navizet, D. Roca-Sanjuan, L. Yue, Y.-J. Liu, N. Ferré, et al.. Are the Bio- and Chemiluminescence States of the Firefly Oxyluciferin the Same as the Fluorescence State?. Photochemistry and Photobiology, Wiley, 2013, 89 (2), pp.319-25. <10.1111/php.12007>. <hal-00751875>
  • S. Mathura, D. Sannasy, A. S. De Soussa, C. B. Perry, Isabelle Navizet, et al.. The preparation of N-acetyl-Co(III)-microperoxidase-8 (NAcCoMP8) and its ligand substitution reactions: A comparison with aquacobalamin (vitamin B12a).. Journal of Inorganic Biochemistry, Elsevier, 2013, 123 (1), pp.66-79. <10.1016/j.jinorgbio.2013.03.001>. <hal-00835790>
  • P. Govender, Isabelle Navizet, C. Perry, H. Marques. DFT studies of trans and cis influences in the homolysis of the Co-C bond in models of the alkylcobalamins.. Journal of Physical Chemistry A, American Chemical Society, 2013, 117 (14), pp.3057-68. <10.1021/jp311788t>. <hal-00840138>
  • S.-F. Chen, Isabelle Navizet, D. Roca-Sanjuan, R. Lindh, N. Ferré, et al.. Chemiluminescence of coelenterazine and fluorescence of coelenteramide: a systematic theoretical study. J. Chem. Theory Comput., 2012, 8 (8), pp.2796−2807. <10.1021/ct300356j>. <hal-00749387>
  • P. Govender, Isabelle Navizet, C. Perry, H. Marques. The cis influence of the corrin in vitamin B12 models. Chemical Physics Letters, Elsevier, 2012, 550 (1), pp.150-155. <10.1016/j.cplett.2012.08.061>. <hal-00749810>
  • Isabelle Navizet, C. Perry, P. Govender, H. Marques. cis influence in models of cobalt corrins by DFT and TD-DFT studies.. Journal of Physical Chemistry B, American Chemical Society, 2012, 116 (30), pp.8836-45. <10.1021/jp304007a>. <hal-00749807>
  • M. Marazzi, Isabelle Navizet, R. Lindh, L. Frutos. Photostability Mechanisms in Human γB-Crystallin: Role of the Tyrosine Corner Unveiled by Quantum Mechanics and Hybrid Quantum Mechanics/Molecular Mechanics Methodologies. Journal of Chemical Theory and Computation, American Chemical Society, 2011, 8 (4), pp.1351-1359. <10.1021/ct300114w>. <hal-00749801>
  • Isabelle Navizet, Y.-J. Liu, N. Ferré, D. Roca-Sanjuan, R. Lindh. The chemistry of bioluminescence: an analysis of chemical functionalities.. ChemPhysChem, Wiley-VCH Verlag, 2011, 12 (17), pp.3064-76. <10.1002/cphc.201100504>. <hal-00749782>
  • D. Roca-Sanjuan, M. Delcey, Isabelle Navizet, N. Ferré, Y.-J. Liu, et al.. Chemiluminescence and Fluorescence States of a Small Model for Coelenteramide and Cypridina Oxyluciferin: A CASSCF/CASPT2 Study. Journal of Chemical Theory and Computation, American Chemical Society, 2011, 7 (12), pp.4060-4069. <10.1021/ct2004758>. <hal-00749790>
  • S.-F. Chen, Y.-J. Liu, Isabelle Navizet, N. Ferre, W.-H. Fang, et al.. Systematic Theoretical Investigation on the Light Emitter of Firefly. Journal of Chemical Theory and Computation, American Chemical Society, 2011, 7 (3), pp.798--803. <10.1021/ct200045q>. <hal-00692848>
  • Isabelle Navizet, Y.-J. Liu, N. Ferré, H.-Y. Xiao, W.-H. Fang, et al.. Color-tuning mechanism of firefly investigated by multi-configurational perturbation method.. Journal of the American Chemical Society, American Chemical Society, 2010, 132 (2), pp.706-12. <10.1021/ja908051h>. <hal-00749370>
  • Isabelle Navizet, N. Komiha, Roberto Linguerri, Gilberte Chambaud, P. Rosmus. On the formation of S2O at low energies: An ab initio study. Chemical Physics Letters, Elsevier, 2010, 500 (4-6), pp.207-210. <10.1016/j.cplett.2010.10.012>. <hal-00712853>
  • E. Chasovskikh, E. Jochnowitz, E. Kim, J.P. Maier, Isabelle Navizet. Electronic spectrum of the AlC(2) radical.. Journal of Physical Chemistry A, American Chemical Society, 2007, 111 (47), pp.11986-9. <10.1021/jp075169e>. <hal-00749393>
  • Isabelle Navizet, Gilberte Chambaud, P. Rosmus, N. Komiha. The spin-orbit coupling in the bond formation region of the electronic ground states of O-3(+), S-3(+) and SO2+. Chemical Physics, Elsevier, 2006, 329 (1-3), pp.251--255. <10.1016/j.chemphys.2006.06.008>. <hal-00693722>
  • Roberto Linguerri, Isabelle Navizet, P. Rosmus, S. Carter, J.P. Maier. Vibrations in the B4 rhombic structure.. Journal of Chemical Physics, American Institute of Physics, 2005, 122 (3), pp.34301. <10.1063/1.1828045>. <hal-00749402>
  • Roberto Linguerri, Isabelle Navizet, P. Rosmus, S. Carter, J. P. Maier. Vibrations in the B4 rhombic structure. Journal of Chemical Physics, American Institute of Physics, 2005, 122 (3), pp.034301. <10.1063/1.1828045>. <hal-00712811>
  • Isabelle Navizet, P. Rosmus. The asymptotic region of the potential energy surfaces relevant for the O(P-3)+SO(X-3 Sigma(-)) reaction. Chemical Physics Letters, Elsevier, 2005, 411 (4-6), pp.457--462. <10.1016/j.cplett.2005.06.054>. <hal-00693799>
  • Isabelle Navizet, F. Cailliez, R. Lavery. Probing protein mechanics: residue-level properties and their use in defining domains.. Biophys J, 2004, 87, pp.1426-1435. <hal-00313397>
  • Isabelle Navizet, R. Lavery, Rl Jernigan. Myosin flexibility: structural domains and collective vibrations.. Proteins - Structure, Function and Bioinformatics, Wiley, 2004, 54, pp.384-393. <hal-00313399>
  • Isabelle Navizet, Richard Lavery, Robert L. Jernigan. Myosin flexibility: Structural domains and collective vibrations. Proteins: Structure, Function, and Genetics, Wiley, 2004, 54 (3), pp.384-393. <10.1002/prot.10476>. <hal-01334970>
  • Isabelle Navizet, Fabien Cailliez, Richard Lavery. Probing Protein Mechanics: Residue-Level Properties and Their Use in Defining Domains. Biophysical Journal, Biophysical Society, 2004, 87 (3), pp.1426-1435. <10.1529/biophysj.104.042085>. <hal-01334981>
  • P. Doruker, Isabelle Navizet, R. Jernigan, R. Hernandez. Important fluctuation dynamics of large protein structures are preserved upon coarse-grained renormalization. International Journal of Quantum Chemistry, Wiley, 2002, 90 (2), pp.822-837. <10.1002/qua.955>. <hal-00750112>

Communication dans un congrès9 documents

  • Isabelle Navizet. The light inside the fireflies: A QMMM study. 4th Chinese-French Workshop in Theoretical Chemistry, Jun 2013, Nanjing, China. <hal-00840143>
  • Isabelle Navizet. Light emision in firefly: a QMMM study. ENS Lyon. CECAM New QM/MM opportunities for in silico macromolecular photochemistry Workshop, Mar 2012, Lyon, France. pp.1. <hal-00778009>
  • Isabelle Navizet. Light emission in firefly: a theoretical study. Wiley Luminescence The Journal of Biological and Chemical Luminescence. 17th international symposium on bioluminescence and chemiluminescence (ISBC), May 2012, Guelph, Canada. pp.1. <hal-00841417>
  • Isabelle Navizet. Mechanistic insights into chemiluminescent decomposition of firefly dioxetanone. Wiley Luminescence The Journal of Biological and Chemical Luminescence. 17th international symposium on bioluminescence and chemiluminescence (ISBC), May 2012, Guelph, Canada. pp.1. <hal-00841423>
  • Isabelle Navizet, Y.-J. Liu, S.-F. Chen, H.-Y. Xiao, N. Ferré, et al.. Modelling of firefly light emission system.. Universite de Marseille. Workshop Modelling of biologically-inspired photoacitve systems, Mar 2011, Marseille, France. pp.1. <hal-00778006>
  • Isabelle Navizet, Y.-J. Liu, N. Ferré, R. Lindh. Theoretical Approach for Investigating Color-Modulation in Bioluminescence. 40th South African Chemical Institute National Convention SACI2011 and Federation of African Chemical Societies meeting, Jan 2011, Johannesburg, South Africa. <hal-00777999>
  • Isabelle Navizet, Y.-J. Liu, N. Ferré, R. Lindh. Color-Modulation of firefly luciferin-luciferase system investigated by theoretical approach. JOHN WILEY. 16th International Symposium on Bioluminescence and Chemiluminescence (ISBC), Apr 2010, Lyon, France. pp.1. <hal-00777989>
  • Isabelle Navizet. Etude par dynamique moléculaire et approaches QMMM d'une réaction de phosphorylation au sein de la tyrosine kinase d'E. Coli.. Universite de Rennes. 11ème Rencontre des Chimistes Théoriciens Francophones (XI RCTF), Dinard, France, June 30- July 4, 2008., Jun 2008, Dinard, France. pp.1. <hal-00777978>
  • Isabelle Navizet. Dynamique moléculaire et calculs QMMM pour l'étude d'une tyrosine kinase,. ENS-ENSCP. Journée Modélisation de l'ENS-ENSCP, Paris, France, June, 16-17, 2008, (20 min)., Jun 2008, Paris, France. pp.1. <hal-00777974>