Isabelle Navizet

73
Documents

Publications

25
20
18
8
4
4
3
3
3
3
3
3
3
3
3
3
3
3
2
2
2
2
2
1
1
1
1
1
1
1
1

Publications

Towards Biomass Pyrolysis in Fluidized Bed for Bioenergy Generation

Abderraouf Adjizi , Isabelle Navizet , Amine Chadil , Enrica Masi , Ali Ozel et al.

8th Meeting of the French Singaporean Research Network on Renewable Energy, SINERGIE Summer School 2025, Sep 2025, Singapore, Singapore

Communication dans un congrès hal-05529750v1

Towards Numerical Modelling of Biomass Pyrolysis in Fluidized Bed for Bioenergy Generation: A Scalability Study

Abderraouf Adjizi , Isabelle Navizet , Amine Chadil , Enrica Masi , Ali Ozel et al.

7th International Conference on Turbulence and Interactions, Mar 2025, La Palma, Spain

Communication dans un congrès hal-05529775v1

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

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

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

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

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

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

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 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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Modelling of firefly light emission system.

Isabelle Navizet , Y.-J. Liu , S.-F. Chen , H.-Y. Xiao , N. Ferré et al.

Workshop Modelling of biologically-inspired photoacitve systems, Mar 2011, Marseille, France. pp.1

Communication dans un congrès hal-00778006v1

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

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

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

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 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 Ozel et al.

12th International Conference on Multiphase Flow, May 2025, Toulouse, France

Poster de conférence hal-05529720v1

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
Deposit thumbnail

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
Deposit thumbnail

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
Deposit thumbnail

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