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Isabelle NAVIZET

Professeure des universités en chimie Responsable de l'équipe chimie théorique du laboratoire Modélisation et Simulation Multi-Echelle (MSME), UMR8208 Enseignante en licence et master de l'IFSA Vice-présidente du Conseil d'Administration de l'Univ Gustave Eiffel

Champs-sur-Marne

Bâtiment: Building: Lavoisier

Bureau: Office: K33

+33 (0)1 60 95 73 93

Isabelle NAVIZET

Professeure des universités en chimie Responsable de l'équipe chimie théorique du laboratoire Modélisation et Simulation Multi-Echelle (MSME), UMR8208 Enseignante en licence et master de l'IFSA Vice-présidente du Conseil d'Administration de l'Univ Gustave Eiffel

Professor in Chemistry Head of the Theoretical team of the MSME laboratory

Mes dernières références

My latest references

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HAL publication list

Ana Borrego-Sánchez, Madjid Zemmouche, Javier Carmona-García, Antonio Francés-Monerris, Pep Mulet, et al.
Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air–Water Interface. Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (6), pp.3571-3582
10.1021/acs.jctc.0c01083
Gerard Lambert, Hadrien Depernet, Guillaume Gotthard, Darrin Schultz, Isabelle Navizet, et al.
Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing. PLoS Biology, Public Library of Science, 2020, 18 (11), pp.e3000936
10.1371/journal.pbio.3000936
Cristina García-Iriepa, Raúl Losantos, Diana Fernández-Martínez, Diego Sampedro, Isabelle Navizet
Fungal Light Emitter: Understanding Its Chemical Nature and pH-Dependent Emission in Water Solution. Journal of Organic Chemistry, American Chemical Society, 2020, 85 (8), pp.5503-5510
10.1021/acs.joc.0c00246
Madjid Zemmouche, Cristina Garcia-Iriepa, Isabelle Navizet
Light emission colour modulation study of oxyluciferin synthetic analogues via QM and QM/MM approaches. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (1), pp.82-91
10.1039/C9CP04687A
Isabelle Navizet, Romain Berraud-Pache, Cristina Garcia-Iriepa, Madjid Zemmouche
Modelling absorption and emission spectra to better understand firefly bioluminescence system. Modelling Photoinduced Processes in Molecular Systems, Feb 2020, London, France
Cristina Garcia-Iriepa, Marco Marazzi, Isabelle Navizet
The role of CO 2 detachment in fungal bioluminescence: thermally vs. excited state induced pathways. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (46), pp.26787-26795
10.1039/d0cp05037g
Maria‐andrea Mroginski, Suliman Adam, Gil Amoyal, Avishai Barnoy, Ana‐nicoleta Bondar, et al.
Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and Photobiology, Wiley, 2020
10.1111/php.13372
Mehdi Sahihi, Juan Sanz Garcia, Isabelle Navizet
Bioluminescent Nanoluciferase–Furimamide Complex: A Theoretical Study on Different Protonation States. Journal of Physical Chemistry B, American Chemical Society, 2020, 124 (13), pp.2539-2548
10.1021/acs.jpcb.9b11597
Isabelle Navizet
Theoretical studies of fireflies bioluminescence. 60 ans du laboratoire de biochimie théorique, IBPC, Chantal Prevost; Fabio Sterpone; Guillaume Stirnemann, Apr 2019, Paris, France
Isabelle Navizet
Spectroscopie de chromophores issus de la bioluminescence dans un solvant ou une protéine. 10 ans du laboratoire MSME, May 2019, Noisy-Champs, France
Isabelle Navizet, Romain Berraud-Pache, Cristina Garcia-Iriepa, Madjid Zemmouche
Importance of the modelling of the surrounding environment: example of absorption and emission spectra of oxyluciferin analogues.. 7th Chinese-French Workshop in Theoretical Chemistry (CFWTC2019), May 2019, Toulouse, France
Madjid Zemmouche, Cristina Garcia-Iriepa, Isabelle Navizet
Fluorescence emission of the oxyluciferin and some of its analogues by QM and QM/MM methods. Journées 2019 de la Société Française de Photobiologie, Nov 2019, Paris, France
Madjid Zemmouche, Cristina Garcia-Iriepa, Romain Berraud-Pache, Isabelle Navizet
The use of classical Molecular Dynamic to improve Absorption and Fluorescence spectra.. Journées GDR TheMS2019, Nov 2019, Orsay, France
Isabelle Navizet
Multiscale modelling of the light emitter system in firefly bioluminescence. Frontiers in Multiscale Modelling of Photoreceptor Proteins, Igor Schapiro; Maria-Andrea Mroginski, Nov 2019, Tel Aviv, Israel
Isabelle Navizet, Cristina Garcia-Iriepa, Madjid Zemmouche, Romain Berraud-Pache
Theoretical studies of bioluminescence of fireflies : how to predict the color?. 17th International Congress of Photobiology / 18th Congress of the European Society for Photobiology, Santi Nonell; John Spudich, Aug 2019, Barcelona, Spain
Isabelle Navizet, Cristina Garcia-Iriepa, Romain Berraud-Pache, Madjid Zemmouche
Theoretical insights to understand when Bioluminescence and Fluorescence spectra should be alike or not. Journées 2019 de la Société Française de Photobiologie, Nov 2019, Paris, France
Cristina Garcia-Iriepa, Isabelle Navizet, Romain Berraud-Pache
Theoretical Studies of Chemiluminescence. Luis Pinto da Silva. A Comprehensive Guide to Chemiluminescence, Nova Sciences Publisher, 2019, A Comprehensive Guide to Chemiluminescence, 978-1-53616-170-0
Mehdi Sahihi, Isabelle Navizet
Computational Investigation on Bioluminescence of NanoLuc-Furimamide Complex: Effect of Protonation. Journées 2019 de la Société Française de Photobiologie,, Nov 2019, Paris, France
Madjid Zemmouche, Cristina Garcia-Iriepa, Isabelle Navizet
QM/MM study of the fluorescence emission of the oxyluciferin and some of its analogues. JTMS Journées "Théorie, Modélisation et Simulations", Jun 2019, Paris, France
Cristina Garcia-Iriepa, Isabelle Navizet
Effect of Protein Conformation and AMP Protonation State on Fireflies’ Bioluminescent Emission. Molecules, MDPI, 2019, 24 (8), pp.1565
10.3390/molecules24081565
Nuno Manuel de Almeida Barbosa, Madjid Zemmouche, Pauline Gosset, Cristina García‐iriepa, Vincent Ledentu, et al.
pH‐Dependent Absorption Spectrum of Oxyluciferin Analogues in the Presence of Adenosine Monophosphate. ChemPhotoChem, Wiley, 2019
10.1002/cptc.201900150
Cristina Garcia-Iriepa, Madjid Zemmouche, Miguel Ponce-Vargas, Isabelle Navizet
The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21 (8), pp.4613-4623
10.1039/C8CP07352J
César Carrasco-López, Juliana Ferreira, Nathan Lui, Stefan Schramm, Romain Berraud-Pache, et al.
Beetle luciferases with naturally red- and blue-shifted emission. Life Science Alliance, Life Science Alliance LLC, 2018, 1 (4), pp.e201800072
Cristina Garcia-Iriepa, Isabelle Navizet
Revealing Spectroscopic Features of Firefly Oxyluciferin and its Analogues by QM/MM methods. 20th International Symposium on Bioluminescence & Chemiluminescence (ISBC 2018), May 2018, Nantes, France
Romain Berraud-Pache, Roland Lindh, Isabelle Navizet
QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies Through a Superoxide Ion. Journal of Physical Chemistry B, American Chemical Society, 2018
10.1021/acs.jpcb.8b00642
Madjid Zemmouche, Cristina Garcia-Iriepa, Romain Berraud-Pache, Isabelle Navizet
Theoretical Study of Fireflies Light Emitter and its Analogues: Color Modulation. 20th International Symposium on Bioluminescence and Chemiluminescence ISBC, May 2018, Nantes, France. 14, pp.2117 - 2126, 2018
Madjid Zemmouche, Cristina Garcia-Iriepa, Romain Berraud-Pache, Isabelle Navizet
Theoretical Study of Fireflies Light Emitter and its Analogues: Color Modulation. JTMS 2018 : Journées "Théorie, Modélisation et Simulation", May 2018, Paris, France. 14, pp.2117 - 2126, 2018
Cristina Garcia-Iriepa, Isabelle Navizet
Studying the Photochemical Properties of Firefly Oxyluciferin and its Analogues by QM/MM methods. Photoinduced Processes in Embedded Systems (PPES 2018), Jun 2018, Pisa, Italy
Cristina Garcia-Iriepa, Madjid Zemmouche, Isabelle Navizet
Analyzing the influence of the surrounding in the emission of fireflies' oxyluciferin chemical forms. Ab-initio modelling of molecular processes under confinement (MOLIM), Dec 2018, Madrid, Spain
Cristina Garcia-Iriepa, Pauline Gosset, Romain Berraud-Pache, Madjid Zemmouche, Gregory Taupier, et al.
Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (4), pp.2117 - 2126
10.1021/acs.jctc.7b01240
Morgane Vacher, Ignacio Fdez
Galván, Bo-Wen Ding, Stefan Schramm, Romain Berraud-Pache, et al.. Chemi- and Bioluminescence of Cyclic Peroxides. Chemical Reviews, American Chemical Society, 2018
10.1021/acs.chemrev.7b00649
Isabelle Navizet, Romain Berraud-Pache, Cristina Garcia-Iriepa
Is the tautomerization of firefly oxyluciferin feasible at the excited state inside the protein?. Photoinduced Processes in Embedded Systems, Jun 2018, Pisa, Italy
Isabelle Navizet, Romain Berraud-Pache, Cristina Garcia-Iriepa, Madjid Zemmouche
How theoretical simulations can help to a better understanding of firefly bioluminescence ?. 20th International Symposium on Bioluminescence & Chemiluminescence, May 2018, Nantes, France
Cloé Azarias, Miguel Ponce Vargas, Isabelle Navizet, Paul Fleurat-Lessard, Anthony Romieu, et al.
Rationalisation of the Optical Signatures of nor-Dihydroxanthene-Hemicyanine Fused Near-Infrared Fluorophores By First Principle Tools. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (17), pp.12120-12128
10.1039/C8CP01587B
Romain Berraud-Pache, Cristina Garcia-Iriepa, Isabelle Navizet
Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems. Frontiers in Chemistry, Frontiers Media, 2018, 6
10.3389/fchem.2018.00116
Isabelle Navizet
QM/MM with Molcas/Tinker. The 8th MOLCAS users' Workshop, Nov 2017, Uppsala, Sweden
Isabelle Navizet
Blue-Green-Red bioluminescence: theoretical insights. 2017
Isabelle Navizet, Romain Berraud-Pache, Cristina Garcia-Iriepa
Role of the environment in bioluminescence emission: QM/MM study. 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry WATOC 2017, Aug 2017, München, Germany
Romain Berraud-Pache, Isabelle Navizet
Keto-enol tautomerization on the bioluminescence emitter in fireflies. 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry WATOC 2017, Aug 2017, München, Germany
Stefan Schramm, Isabelle Navizet, Durga Prasad Karothu, Pascal Oesau, Veronika Bensmann, et al.
Mechanistic investigations of the 2-coumaranone chemiluminescence. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (34), pp.22852 - 22859
10.1039/C7CP03425C
Isabelle Navizet, Romain Berraud-Pache, Cristina Garcia-Iriepa
Blue-Green-Red bioluminescence: theoretical insights, Japanese Symposium of Bioluminescence and Chemiluminescence. Japanese Symposium of Bioluminescence and Chemiluminescence , Oct 2017, Tokyo, Japan
Romain Berraud-Pache, Isabelle Navizet
QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effect. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18
10.1039/c6cp02585d
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
Romain Berraud-Pache, Isabelle Navizet
Theoretical study of a red-emitter of firefly oxyluciferin. Chemical Physics Conference (CPC2016), Oct 2016, Nancy, France
Isabelle Navizet
QM/MM study of firefly bioluminescence. The 8th Molecular Quantum Mechanics, Roland Lindh, Jun 2016, Uppsala, Sweden
Romain Berraud-Pache, Isabelle Navizet
Calcul QM/MM sur un nouvel émetteur de la luciférine. Rencontre de Chimistes Théoriciens Francophones , Jun 2016, Lyon, France
Stefan Schramm, Isabelle Navizet, Pascal Oesau, Dieter Weiss, Rainer Beckert
A New Class of Strongly Chemiluminescent Models for Dioxetanone-Mediated Bioluminescence. International Society for Bioluminescence and Chemiluminescence, May 2016, Tsukuba, Japan
Romain Berraud-Pache, Isabelle Navizet
Theoretical study of excited state in a bioluminescent reaction. Excited States in Complex Systems ESCS 2016 , Nov 2016, Paris, France
Isabelle Navizet
DFT/MM approach. CECAM DeMon Tutorial School, May 2015, Orsay, France
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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
Isabelle Navizet, Stefan Schramm
Modeling Chemiluminence and fluorescence of coumaranone derivatives. Modeling Photoactive Molecules MPM 2015, Apr 2015, Nantes, France
Isabelle Navizet, Romain Berraud-Pache
QM/MM calculations of light emission in firefly . International Workshop on Bioluminescence, Sep 2015, Beijing, China
Romain Berraud-Pache, Isabelle Navizet
QM/MM calculation on a red emitter of firefly oxyluciferin. Modeling Photoactive Molecules MPM 2015, Apr 2015, Nantes, France
Romain Berraud-Pache, Isabelle Navizet
QM/MM Calculation on a red emitter of firefly oxyluciferin. The first MOLIM General Meeting, Aug 2015, Noisy-champs, France
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
Isabelle Navizet
Systèmes bioluminescents: ce qu’apportent les études théoriques. Journées Modélisation Paris, Sep 2014, Paris, France
Isabelle Navizet
CASPT2 QM/MM calculations on bioluminescent systems. CFCAM "discussion meeting: Excited states from small molecules to more complex systems", Apr 2014, Marne-la-Vallée, France
Isabelle Navizet
DFT study of chemiluminescence and fluorescence of coumaranone derivatives. International Symposium on Bioluminescence and Chemiluminescence, Jun 2014, Uppsala, Sweden
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
Nicolas Ferré, Miquel Huix-Rotllant, Michael Filatov, Samer Gozem, Igor Schapiro, et al.
Approximate density functional theory for complex photoreactions in biological systems. Abstracts of Papers of the American Chemical Society, American Chemical Society, 2014, 247
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
Shufeng Chen, Isabelle Navizet, Roland Lindh, Yajun Liu, Nicolas Ferré
Bioluminescence of Obelin: identification of the light emitters using QM/MM models. Luminescence, Wiley, 2014, 29, pp.19--19
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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
Isabelle Navizet
The light inside the fireflies: A QMMM study. 4th Chinese-French Workshop in Theoretical Chemistry, Jun 2013, Nanjing, China
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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
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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
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
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
Isabelle Navizet
Light emission in firefly: a theoretical study. 17th international symposium on bioluminescence and chemiluminescence (ISBC), May 2012, Guelph, Canada. pp.1
Isabelle Navizet
Mechanistic insights into chemiluminescent decomposition of firefly dioxetanone. 17th international symposium on bioluminescence and chemiluminescence (ISBC), May 2012, Guelph, Canada. pp.1
Isabelle Navizet
Light emision in firefly: a QMMM study. CECAM New QM/MM opportunities for in silico macromolecular photochemistry Workshop, Mar 2012, Lyon, France. pp.1
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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
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. Journal of Chemical Theory and Computation, American Chemical Society, 2012, 8 (8), pp.2796−2807
10.1021/ct300356j
Daniel Roca-Sanjuán, Mickaël G
Delcey, Isabelle Navizet, Nicolas Ferré, Ya-Jun Liu, et al.. WARNING: The light-emitting molecular structures responsible for the chemiluminescence and fluorescence phenomena are not necessarily the same!. Luminescence, Wiley, 2012, 27 (2), pp.155--156
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
Isabelle Navizet, Y.-J
Liu, S.-F. Chen, H.-Y. Xiao, N. Ferré, et al.. Modelling of firefly light emission system.. Workshop Modelling of biologically-inspired photoacitve systems, Mar 2011, Marseille, France. pp.1
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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
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
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
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
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
Isabelle Navizet, Y.-J
Liu, N. Ferré, R. Lindh. Color-Modulation of firefly luciferin-luciferase system investigated by theoretical approach. 16th International Symposium on Bioluminescence and Chemiluminescence (ISBC), Apr 2010, Lyon, France. pp.1
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
Isabelle Navizet
Etude par dynamique moléculaire et approaches QMMM d'une réaction de phosphorylation au sein de la tyrosine kinase d'E. Coli.. 11ème Rencontre des Chimistes Théoriciens Francophones (XI RCTF), Dinard, France, June 30- July 4, 2008., Jun 2008, Dinard, France. pp.1
Isabelle Navizet
Dynamique moléculaire et calculs QMMM pour l'étude d'une tyrosine kinase,. Journée Modélisation de l'ENS-ENSCP, Paris, France, June, 16-17, 2008, (20 min)., Jun 2008, Paris, France. pp.1
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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
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
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
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
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
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
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
Isabelle Navizet, F
Cailliez, R. Lavery. Probing protein mechanics: residue-level properties and their use in defining domains.. Biophysical Journal, Biophysical Society, 2004, 87, pp.1426-1435
Isabelle Navizet, R
Lavery, Rl Jernigan. Myosin flexibility: structural domains and collective vibrations.. Proteins - Structure, Function and Bioinformatics, Wiley, 2004, 54, pp.384-393
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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