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Isabelle Navizet

63
Documents

Publications

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

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
20th Congress of the European Society for Photobiology, Aug 2023, Lyon, France
Communication dans un congrès hal-04395373v1

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 for bioluminescence

Isabelle Navizet , Romain Berraud-Pache , Cristina Garcia-Iriepa , Madjid Zemmouche
Photo-IUPAC, Jul 2022, Amsterdam, Netherlands
Communication dans un congrès hal-04410657v1

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 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

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

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

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

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 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

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 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

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

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

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

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

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

QM/MM with Molcas/Tinker

Isabelle Navizet
The 8th MOLCAS users' Workshop, Nov 2017, Uppsala, Sweden
Communication dans un congrès hal-01793201v1

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

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

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

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 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

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

Systèmes bioluminescents: ce qu’apportent les études théoriques

Isabelle Navizet
Journées Modélisation Paris, Sep 2014, Paris, France
Communication dans un congrès hal-01793089v1

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

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

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 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
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
Image document

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
Image document

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
Image document

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

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
The first MOLIM General Meeting, Aug 2015, Noisy-champs, France.
Poster de conférence hal-01703300v1

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
Modeling Photoactive Molecules MPM 2015, Apr 2015, Nantes, France.
Poster de conférence hal-01703308v1