Isabelle Navizet

Publications

Communication dans un congrès (58)

Towards Numerical Modelling of Biomass Pyrolysis in Fluidized Bed for Bioenergy Generation: A Scalability Study Abderraouf Adjizi,Isabelle Navizet,Amine Chadil,Enrica Masi,Ali Ozelet al. 7th International Conference on Turbulence and Interactions, Mar 2025, La Palma, Spain Communication dans un congrès hal-05529775v1
Towards Biomass Pyrolysis in Fluidized Bed for Bioenergy Generation Abderraouf Adjizi,Isabelle Navizet,Amine Chadil,Enrica Masi,Ali Ozelet al. 8th Meeting of the Study Group on Renewable Energy Transition (SG-RENE), SINERGIE Summer School 2025, Sep 2025, Singapore, Singapore Communication dans un congrès hal-05529750v1
Modeling the conformations of biliverdin within a fluorescent protein derived from phytochrome Alicia da Piedade Vieira,Volkan Fındık,Etienne Mangaud,Isabelle Navizet Journée des doctorants du laboratoire MSME 2025, Alicia Da Piedade Vieira; Erwan Le Courric; Hakkoum Abdelhamid, Feb 2025, Champs-sur-Marne, France Communication dans un congrès hal-05025159v1
Development of a hybrid All-Atom/Coarse-Grained force field to study biliverdin conformational changes within bacteriophytochromes Alicia da Piedade Vieira,Volkan Fındık,Etienne Mangaud,Isabelle Navizet JTMS 2025 : Journées "Théorie, Modélisation et Simulation", Amaël Obliger; Élise Duboué-Dijon; Julien Pilmé; Cécilia Pech; Bruno Senjean; Antoine Carof; Carine Clavaguéra; Laura Le Bras; Benoit Coasne; Peter Reinhardt, Nov 2025, Bordeaux, France Communication dans un congrès hal-05356592v1
Challenges Solved in the Beginning of the 21th Century to a Better Modelling of Absorption and Emission Spectra: Cases of the Color Emitted by Firefly Isabelle Navizet The Path of Quantum Chemistry into the 21st Century, Markus Reiher, Jan 2024, Zurich (CH), Switzerland Communication dans un congrès hal-05024079v1
QM/MM calculations and spectra modelling of the Nanoluc-Furimamide bioluminescent system Houda Moumene,Etienne Mangaud,Isabelle Navizet 20th Congress of the European Society for Photobiology, Aug 2023, Lyon, France Communication dans un congrès hal-04395409v1
Modelling absorption and emission spectra of chemi- and biol-luminescent systems: challenges and perspectives Isabelle Navizet 20th Congress of the European Society for Photobiology, Aug 2023, Lyon, France Communication dans un congrès hal-04395373v1
Force field for Modelling Absorption Spectra of the bioluminescent System Nanoluc-Furimamide Houda Moumene,Etienne Mangaud,Isabelle Navizet F-CECAM Discussion Meeting force fields to study spectroscopic propertie, Apr 2023, Marne la Vallée (Ile de France), France Communication dans un congrès hal-04410786v1
Modelling absorption and emission spectra of chemi- and biol-luminescent systems: challenges and perspectives Isabelle Navizet 21st ISBC & XIX ISLS, May 2022, Gijon (SPAIN), Spain Communication dans un congrès hal-04410680v1
Modelling absorption and emission spectra for bioluminescence Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa,Madjid Zemmouche Photo-IUPAC, Jul 2022, Amsterdam, Netherlands Communication dans un congrès hal-04410657v1
Modélisation des spectres d’absorption et d’émission du système bioluminescent de la luciole par des approches QM/MM Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa,Madjid Zemmouche Rencontre des Chimistes Théoriciens Francophones 2022, Jun 2022, Bordeaux, France Communication dans un congrès hal-04561222v1
Umbrella Sampling for the estimation of the free energy barrier of Pi release in Myosin Matthieu Caruel,Fabrice Detrez,Isabelle Navizet,Robin Manevy ESB2022 Congress, Jun 2022, Porto, Portugal Communication dans un congrès hal-03727763v1
Étude mécanique d'une protéine du muscle Robin Manevy,M Caruel,Fabrice Detrez,Isabelle Navizet Journée thématique Biomécanque et Biomatériaux, Apr 2021, Paris, France Communication dans un congrès hal-03675502v1
Modelling absorption and emission spectra to better understand firefly bioluminescence system Isabelle Navizet,Romain Berraud-Pache,Cristina García-Iriepa,Madjid Zemmouche French Swiss Photochemistry Symposium P-FSPS2021, Jan 2021, Grenoble, online, France Communication dans un congrès hal-04410750v1
Modelling absorption and emission spectra taking into account the dynamic environment: example of firefly bioluminescent systems Isabelle Navizet,Romain Berraud-Pache,Cristina García-Iriepa,Madjid Zemmouche Quantum Dynamics and Spectroscopy of Functional Molecular Materials and Biological Photosystems, May 2021, Les Houches, online, France Communication dans un congrès hal-04410740v1
QM/MM studies of bioluminescent systems Isabelle Navizet Online European Conference on Computational and Theoretical, Nov 2021, online, France Communication dans un congrès hal-04410773v1
Light emitted by bioluminescence: A theoretical investigation Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa,Madjid Zemmouche Day of Light and Matter, Nov 2021, Orsay, France Communication dans un congrès hal-04410726v1
Modelling absorption and emission spectra taking into account the dynamic environment: example of firefly bioluminescent systems Cristina García-Iriepa,Romain Berraud-Pache,Madjid Zemmouche,Isabelle Navizet SPEP’21, Nov 2021, Rennes, France Communication dans un congrès hal-04410709v1
Bringing to light the spectroscopic properties of new synthetic luciferase-based emitters Juan Sanz García,Isabelle Navizet French Swiss Photochemistry Symposium, Jan 2020, Grenoble ( Online ), France Communication dans un congrès hal-04412692v1
Modelling absorption and emission spectra to better understand firefly bioluminescence system Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa,Madjid Zemmouche Modelling Photoinduced Processes in Molecular Systems, Feb 2020, London, France Communication dans un congrès hal-02495217v1
Unravelling the luminescent pathways of the Nanoluciferase-furimamide Complex Juan Sanz García,Mehdi Sahihi,Isabelle Navizet JTMS (virtuel), https://jtms2020.sciencesconf.org, Nov 2020, Online, France Communication dans un congrès hal-04412722v1
Multiscale modelling of the light emitter system in firefly bioluminescence Isabelle Navizet Frontiers in Multiscale Modelling of Photoreceptor Proteins, Igor Schapiro; Maria-Andrea Mroginski, Nov 2019, Tel Aviv, Israel Communication dans un congrès hal-02495204v1
Fluorescence emission of the oxyluciferin and some of its analogues by QM and QM/MM methods Madjid Zemmouche,Cristina Garcia-Iriepa,Isabelle Navizet Journées 2019 de la Société Française de Photobiologie, Nov 2019, Paris, France Communication dans un congrès hal-02495199v1
Theoretical insights to understand when Bioluminescence and Fluorescence spectra should be alike or not Isabelle Navizet,Cristina Garcia-Iriepa,Romain Berraud-Pache,Madjid Zemmouche Journées 2019 de la Société Française de Photobiologie, Nov 2019, Paris, France Communication dans un congrès hal-02495194v1
The use of classical Molecular Dynamic to improve Absorption and Fluorescence spectra. Madjid Zemmouche,Cristina Garcia-Iriepa,Romain Berraud-Pache,Isabelle Navizet Journées GDR TheMS2019, Nov 2019, Orsay, France Communication dans un congrès hal-02495205v1
Importance of the modelling of the surrounding environment: example of absorption and emission spectra of oxyluciferin analogues. Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa,Madjid Zemmouche 7th Chinese-French Workshop in Theoretical Chemistry (CFWTC2019), May 2019, Toulouse, France Communication dans un congrès hal-02495212v1
QM/MM study of the fluorescence emission of the oxyluciferin and some of its analogues Madjid Zemmouche,Cristina Garcia-Iriepa,Isabelle Navizet JTMS Journées "Théorie, Modélisation et Simulations", Jun 2019, Paris, France Communication dans un congrès hal-02495201v1
Computational Investigation on Bioluminescence of NanoLuc-Furimamide Complex: Effect of Protonation Mehdi Sahihi,Isabelle Navizet Journées 2019 de la Société Française de Photobiologie,, Nov 2019, Paris, France Communication dans un congrès hal-02495197v1
Spectroscopie de chromophores issus de la bioluminescence dans un solvant ou une protéine Isabelle Navizet 10 ans du laboratoire MSME, May 2019, Noisy-Champs, France Communication dans un congrès hal-02495221v1
Theoretical studies of bioluminescence of fireflies : how to predict the color? Isabelle Navizet,Cristina Garcia-Iriepa,Madjid Zemmouche,Romain Berraud-Pache 17th International Congress of Photobiology / 18th Congress of the European Society for Photobiology, Santi Nonell; John Spudich, Aug 2019, Barcelona, Spain Communication dans un congrès hal-02495192v1
Theoretical studies of fireflies bioluminescence Isabelle Navizet 60 ans du laboratoire de biochimie théorique, IBPC, Chantal Prevost; Fabio Sterpone; Guillaume Stirnemann, Apr 2019, Paris, France Communication dans un congrès hal-02495188v1
Analyzing the influence of the surrounding in the emission of fireflies' oxyluciferin chemical forms Cristina Garcia-Iriepa,Madjid Zemmouche,Isabelle Navizet Ab-initio modelling of molecular processes under confinement (MOLIM), Dec 2018, Madrid, Spain Communication dans un congrès hal-02048015v1
How theoretical simulations can help to a better understanding of firefly bioluminescence ? Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa,Madjid Zemmouche 20th International Symposium on Bioluminescence & Chemiluminescence, May 2018, Nantes, France Communication dans un congrès hal-01826634v1
Fireflies (beetle) bioluminescence: better understanding thanks to theoretical tools. Isabelle Navizet SCF national symposium thematic chemistry and life., Jul 2018, Montpellier, France Communication dans un congrès hal-04412366v1
Revealing Spectroscopic Features of Firefly Oxyluciferin and its Analogues by QM/MM methods Cristina Garcia-Iriepa,Isabelle Navizet 20th International Symposium on Bioluminescence & Chemiluminescence (ISBC 2018), May 2018, Nantes, France Communication dans un congrès hal-01826856v1
Is the tautomerization of firefly oxyluciferin feasible at the excited state inside the protein? Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa Photoinduced Processes in Embedded Systems, Jun 2018, Pisa, Italy Communication dans un congrès hal-01826627v1
Role of the environment in bioluminescence emission: QM/MM study Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry WATOC 2017, Aug 2017, München, Germany Communication dans un congrès hal-01703281v1
QM/MM with Molcas/Tinker Isabelle Navizet The 8th MOLCAS users' Workshop, Nov 2017, Uppsala, Sweden Communication dans un congrès hal-01793201v1
Blue-Green-Red bioluminescence: theoretical insights, Japanese Symposium of Bioluminescence and Chemiluminescence Isabelle Navizet,Romain Berraud-Pache,Cristina Garcia-Iriepa Japanese Symposium of Bioluminescence and Chemiluminescence , Oct 2017, Tokyo, Japan Communication dans un congrès hal-01793139v1
A New Class of Strongly Chemiluminescent Models for Dioxetanone-Mediated Bioluminescence Stefan Schramm,Isabelle Navizet,Pascal Oesau,Dieter Weiss,Rainer Beckert International Society for Bioluminescence and Chemiluminescence, May 2016, Tsukuba, Japan Communication dans un congrès hal-01703202v1
QM/MM study of firefly bioluminescence Isabelle Navizet The 8th Molecular Quantum Mechanics, Roland Lindh, Jun 2016, Uppsala, Sweden Communication dans un congrès hal-01703120v1
Theoretical study of excited state in a bioluminescent reaction Romain Berraud-Pache,Isabelle Navizet Excited States in Complex Systems ESCS 2016 , Nov 2016, Paris, France Communication dans un congrès hal-01703263v1
Theoretical study of a red-emitter of firefly oxyluciferin Romain Berraud-Pache,Isabelle Navizet Chemical Physics Conference (CPC2016), Oct 2016, Nancy, France Communication dans un congrès hal-01703254v1
Calcul QM/MM sur un nouvel émetteur de la luciférine Romain Berraud-Pache,Isabelle Navizet Rencontre de Chimistes Théoriciens Francophones , Jun 2016, Lyon, France Communication dans un congrès hal-01703171v1
QM/MM calculations of light emission in firefly Isabelle Navizet,Romain Berraud-Pache International Workshop on Bioluminescence, Sep 2015, Beijing, China Communication dans un congrès hal-01703147v1
DFT/MM approach Isabelle Navizet CECAM DeMon Tutorial School, May 2015, Orsay, France Communication dans un congrès hal-01793189v1
DFT study of chemiluminescence and fluorescence of coumaranone derivatives Isabelle Navizet International Symposium on Bioluminescence and Chemiluminescence, Jun 2014, Uppsala, Sweden Communication dans un congrès hal-01703228v1
Systèmes bioluminescents: ce qu’apportent les études théoriques Isabelle Navizet Journées Modélisation Paris, Sep 2014, Paris, France Communication dans un congrès hal-01793089v1
CASPT2 QM/MM calculations on bioluminescent systems Isabelle Navizet CFCAM "discussion meeting: Excited states from small molecules to more complex systems", Apr 2014, Marne-la-Vallée, France Communication dans un congrès hal-01793703v1
The light inside the fireflies: A QMMM study Isabelle Navizet 4th Chinese-French Workshop in Theoretical Chemistry, Jun 2013, Nanjing, China Communication dans un congrès hal-00840143v1
Light emision in firefly: a QMMM study Isabelle Navizet CECAM New QM/MM opportunities for in silico macromolecular photochemistry Workshop, Mar 2012, Lyon, France. pp.1 Communication dans un congrès hal-00778009v1
Mechanistic insights into chemiluminescent decomposition of firefly dioxetanone Isabelle Navizet 17th international symposium on bioluminescence and chemiluminescence (ISBC), May 2012, Guelph, Canada. pp.1 Communication dans un congrès hal-00841423v1
Light emission in firefly: a theoretical study Isabelle Navizet 17th international symposium on bioluminescence and chemiluminescence (ISBC), May 2012, Guelph, Canada. pp.1 Communication dans un congrès hal-00841417v1
Modelling of firefly light emission system. Isabelle Navizet,Y.-J. Liu,S.-F. Chen,H.-Y. Xiao,N. Ferréet al. Workshop Modelling of biologically-inspired photoacitve systems, Mar 2011, Marseille, France. pp.1 Communication dans un congrès hal-00778006v1
Theoretical Approach for Investigating Color-Modulation in Bioluminescence Isabelle Navizet,Y.-J. Liu,N. Ferré,R. Lindh 40th South African Chemical Institute National Convention SACI2011 and Federation of African Chemical Societies meeting, Jan 2011, Johannesburg, South Africa Communication dans un congrès hal-00777999v1
Color-Modulation of firefly luciferin-luciferase system investigated by theoretical approach Isabelle Navizet,Y.-J. Liu,N. Ferré,R. Lindh 16th International Symposium on Bioluminescence and Chemiluminescence (ISBC), Apr 2010, Lyon, France. pp.1 Communication dans un congrès hal-00777989v1
Dynamique moléculaire et calculs QMMM pour l'étude d'une tyrosine kinase, Isabelle Navizet Journée Modélisation de l'ENS-ENSCP, Paris, France, June, 16-17, 2008, (20 min)., Jun 2008, Paris, France. pp.1 Communication dans un congrès hal-00777974v1
Etude par dynamique moléculaire et approaches QMMM d'une réaction de phosphorylation au sein de la tyrosine kinase d'E. Coli. Isabelle Navizet 11ème Rencontre des Chimistes Théoriciens Francophones (XI RCTF), Dinard, France, June 30- July 4, 2008., Jun 2008, Dinard, France. pp.1 Communication dans un congrès hal-00777978v1

Poster de conférence (15)

Study of conformational changes in biliverdin within the phytochrome using hybrid all-atom/coarse-grained simulations Alicia da Piedade Vieira,Volkan Fındık,Etienne Mangaud,Isabelle Navizet Groupe de Graphisme et Modélisation Moléculaire, GGMM 2025: XXIVth GGMM congress, Jun 2025, Forges-les-Eaux, France Poster de conférence hal-05114717v1
Biomass Pyrolysis In Fluidized Bed For Generation Of Bioenergy Abderraouf Adjizi,Isabelle Navizet,Amine Chadil,Enrica Masi,Ali Ozelet al. 12th International Conference on Multiphase Flow, May 2025, Toulouse, France Poster de conférence hal-05529720v1
Comparison of DFT and Force Field approaches on the photophysical properties of different chromophore configurations in the GAF domain of bacteriophytochrome Alicia da Piedade Vieira,Volkan Fındık,Etienne Mangaud,Isabelle Navizet Advanced force fields in multiscale approaches to computational spectroscopy, Jan 2025, Paris, France. Poster de conférence hal-05024970v1
Study of conformational changes in biliverdin within a domain of the bacteriophytochrome Alicia da Piedade Vieira,Volkan Fındık,Etienne Mangaud,Isabelle Navizet LBT days 2024: At the frontier of bio-molecular simulation, Nov 2024, Paris, France. Poster de conférence hal-05024939v1
Modelling Absorption Spectra of Furimamide-Nanoluciferase System Houda Moumene,Etienne Mangaud,Isabelle Navizet Journée du laboratoire MSME, Sep 2022, Marne La Vallée, France Poster de conférence hal-03776478v1
Estimation of the free energy barrier of the step of P i release in myosin VI cycle Matthieu Caruel,Fabrice Detrez,Isabelle Navizet ESB 2022 Congress, Jun 2022, Porto, Portugal Poster de conférence hal-03727769v1
Identification of free energy barriers associated with transition in Myosin cycle using Umbrella Sampling Robin Manevy,Isabelle Navizet,M Caruel,Fabrice Detrez Workshop Les Houches Protein Dynamics, May 2021, Les Houches, France Poster de conférence hal-03675520v1
Prediction of the color in firefly bioluminescent system: a mixed quantum and classical dynamic study Isabelle Navizet,Cristina Garcia-Iriepa,Romain Berraud-Pache,Madjid Zemmouche Women in Bioinformatics and Data Science LA 1st Workshop, virtual conference, Sep 2020, Virtual conference, France Poster de conférence hal-04412402v1
Theoretical Study of Fireflies Light Emitter and its Analogues: Color Modulation Madjid Zemmouche,Cristina Garcia-Iriepa,Romain Berraud-Pache,Isabelle Navizet 20th International Symposium on Bioluminescence and Chemiluminescence ISBC, May 2018, Nantes, France. 14, pp.2117 - 2126, 2018 Poster de conférence hal-01799613v1
Theoretical Study of Fireflies Light Emitter and its Analogues: Color Modulation Madjid Zemmouche,Cristina Garcia-Iriepa,Romain Berraud-Pache,Isabelle Navizet JTMS 2018 : Journées "Théorie, Modélisation et Simulation", May 2018, Paris, France. 14, pp.2117 - 2126, 2018 Poster de conférence hal-01799623v1
Studying the Photochemical Properties of Firefly Oxyluciferin and its Analogues by QM/MM methods Cristina Garcia-Iriepa,Isabelle Navizet Photoinduced Processes in Embedded Systems (PPES 2018), Jun 2018, Pisa, Italy Poster de conférence hal-01826857v1
Keto-enol tautomerization on the bioluminescence emitter in fireflies Romain Berraud-Pache,Isabelle Navizet 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry WATOC 2017, Aug 2017, München, Germany. Poster de conférence hal-01703272v1
QM/MM calculation on a red emitter of firefly oxyluciferin Romain Berraud-Pache,Isabelle Navizet Modeling Photoactive Molecules MPM 2015, Apr 2015, Nantes, France. Poster de conférence hal-01703308v1
Modeling Chemiluminence and fluorescence of coumaranone derivatives Isabelle Navizet,Stefan Schramm Modeling Photoactive Molecules MPM 2015, Apr 2015, Nantes, France. Poster de conférence hal-01703314v1
QM/MM Calculation on a red emitter of firefly oxyluciferin Romain Berraud-Pache,Isabelle Navizet The first MOLIM General Meeting, Aug 2015, Noisy-champs, France. Poster de conférence hal-01703300v1