| Year |
Citation |
Score |
| 2023 |
Cerezo J, García-Iriepa C, Santoro F, Navizet I, Prampolini G. Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue. Physical Chemistry Chemical Physics : Pccp. 25: 5007-5020. PMID 36722876 DOI: 10.1039/d2cp05701h |
0.303 |
|
| 2022 |
Al-Handawi MB, Polavaram S, Kurlevskaya A, Commins P, Schramm S, Carrasco-López C, Lui NM, Solntsev KM, Laptenok SP, Navizet I, Naumov P. Spectrochemistry of Firefly Bioluminescence. Chemical Reviews. PMID 35926147 DOI: 10.1021/acs.chemrev.1c01047 |
0.769 |
|
| 2020 |
Garcia-Iriepa C, Marazzi M, Navizet I. The role of CO detachment in fungal bioluminescence: thermally excited state induced pathways. Physical Chemistry Chemical Physics : Pccp. PMID 33211036 DOI: 10.1039/d0cp05037g |
0.394 |
|
| 2020 |
García-Iriepa C, Losantos R, Fernández-Martínez D, Sampedro D, Navizet I. Fungal Light Emitter: Understanding Its Chemical Nature and pH-Dependent Emission in Water Solution. The Journal of Organic Chemistry. PMID 32202422 DOI: 10.1021/Acs.Joc.0C00246 |
0.495 |
|
| 2020 |
Sahihi M, Sanz Garcia J, Navizet I. Bioluminescent Nanoluciferase-Furimamide Complex: A Theoretical Study on Different Protonation States. The Journal of Physical Chemistry. B. PMID 32154721 DOI: 10.1021/Acs.Jpcb.9B11597 |
0.414 |
|
| 2019 |
Zemmouche M, García-Iriepa C, Navizet I. Light emission colour modulation study of oxyluciferin synthetic analogues via QM and QM/MM approaches. Physical Chemistry Chemical Physics : Pccp. PMID 31802096 DOI: 10.1039/C9Cp04687A |
0.47 |
|
| 2019 |
de la Lande A, Alvarez-Ibarra A, Hasnaoui K, Cailliez F, Wu X, Mineva T, Cuny J, Calaminici P, López-Sosa L, Geudtner G, Navizet I, Garcia Iriepa C, Salahub DR, Köster AM. Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review. Molecules (Basel, Switzerland). 24. PMID 31035516 DOI: 10.3390/Molecules24091653 |
0.383 |
|
| 2019 |
Garcia-Iriepa C, Navizet I. Effect of Protein Conformation and AMP Protonation State on Fireflies' Bioluminescent Emission. Molecules (Basel, Switzerland). 24. PMID 31009993 DOI: 10.3390/Molecules24081565 |
0.433 |
|
| 2019 |
García-Iriepa C, Zemmouche M, Ponce-Vargas M, Navizet I. The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin. Physical Chemistry Chemical Physics : Pccp. PMID 30742153 DOI: 10.1039/C8Cp07352J |
0.387 |
|
| 2018 |
Carrasco-López C, Ferreira JC, Lui NM, Schramm S, Berraud-Pache R, Navizet I, Panjikar S, Naumov P, Rabeh WM. Beetle luciferases with naturally red- and blue-shifted emission. Life Science Alliance. 1: e201800072. PMID 30456363 DOI: 10.26508/lsa.201800072 |
0.753 |
|
| 2018 |
Berraud-Pache R, Garcia-Iriepa C, Navizet I. Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems. Frontiers in Chemistry. 6: 116. PMID 29719820 DOI: 10.3389/Fchem.2018.00116 |
0.465 |
|
| 2018 |
Azarias C, Ponce-Vargas M, Navizet I, Fleurat-Lessard P, Romieu A, Le Guennic B, Richard JA, Jacquemin D. Rationalisation of the optical signatures of nor-dihydroxanthene-hemicyanine fused near-infrared fluorophores by first-principle tools. Physical Chemistry Chemical Physics : Pccp. PMID 29676420 DOI: 10.1039/C8Cp01587B |
0.364 |
|
| 2018 |
Berraud-Pache R, Lindh R, Navizet I. QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies Through a Superoxide Ion. The Journal of Physical Chemistry. B. PMID 29659277 DOI: 10.1021/Acs.Jpcb.8B00642 |
0.48 |
|
| 2018 |
Garcia-Iriepa C, Gosset P, Berraud-Pache R, Zemmouche M, Taupier G, Dorkenoo KD, Didier P, Léonard J, Ferré N, Navizet I. Simulation and analysis of the spectroscopic properties of oxyluciferin and its analogues in water. Journal of Chemical Theory and Computation. PMID 29509419 DOI: 10.1021/Acs.Jctc.7B01240 |
0.491 |
|
| 2018 |
Vacher M, Fdez Galván I, Ding BW, Schramm S, Berraud-Pache R, Naumov P, Ferré N, Liu YJ, Navizet I, Roca-Sanjuán D, Baader WJ, Lindh R. Chemi- and Bioluminescence of Cyclic Peroxides. Chemical Reviews. PMID 29493234 DOI: 10.1021/Acs.Chemrev.7B00649 |
0.761 |
|
| 2017 |
Schramm S, Navizet I, Prasad Karothu D, Oesau P, Bensmann V, Weiss D, Beckert R, Naumov P. Mechanistic investigations of the 2-coumaranone chemiluminescence. Physical Chemistry Chemical Physics : Pccp. PMID 28812068 DOI: 10.1039/C7Cp03425C |
0.738 |
|
| 2016 |
Berraud-Pache R, Navizet I. QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effect. Physical Chemistry Chemical Physics : Pccp. 18: 27460-27467. PMID 27711533 DOI: 10.1039/C6Cp02585D |
0.38 |
|
| 2016 |
Schramm S, Navizet I, Naumov P, Nath NK, Berraud-Pache R, Oesau P, Weiss D, Beckert R. The Light Emitter of the 2-Coumar-anone Chemiluminescence: Theoretical and Experimental Elucidation of a Possible Model for Bioluminescent Systems European Journal of Organic Chemistry. DOI: 10.1002/Ejoc.201501515 |
0.74 |
|
| 2015 |
Schramm S, Ciscato LFML, Oesau P, Krieg R, Richter JF, Navizet I, Roca-Sanjuán D, Weiss D, Beckert R. Investigations on the synthesis and chemiluminescence of novel 2-coumaranones - II Arkivoc. 2015: 44-59. DOI: 10.3998/Ark.5550190.P009.044 |
0.705 |
|
| 2014 |
Chen S, Navizet I, Lindh R, Liu Y, Ferré N. Hybrid QM/MM simulations of the obelin bioluminescence and fluorescence reveal an unexpected light emitter. The Journal of Physical Chemistry. B. 118: 2896-903. PMID 24601757 DOI: 10.1021/Jp412198W |
0.489 |
|
| 2014 |
Galván IF, Xiao H, Navizet I, Liu Y, Lindh R. S0 → S3 transition in recombination products of photodissociated dihalomethanes Molecular Physics. 112: 575-582. DOI: 10.1080/00268976.2013.832429 |
0.351 |
|
| 2013 |
Navizet I, Roca-Sanjuán D, Yue L, Liu YJ, Ferré N, Lindh R. Are the bio- and chemiluminescence states of the firefly oxyluciferin the same as the fluorescence state? Photochemistry and Photobiology. 89: 319-25. PMID 23057607 DOI: 10.1111/Php.12007 |
0.507 |
|
| 2012 |
Marazzi M, Navizet I, Lindh R, Frutos LM. 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. 8: 1351-9. PMID 26596750 DOI: 10.1021/Ct300114W |
0.396 |
|
| 2012 |
Chen SF, Navizet I, Roca-Sanjuán D, Lindh R, Liu YJ, Ferré N. Chemiluminescence of Coelenterazine and Fluorescence of Coelenteramide: A Systematic Theoretical Study. Journal of Chemical Theory and Computation. 8: 2796-807. PMID 26592121 DOI: 10.1021/Ct300356J |
0.455 |
|
| 2011 |
Roca-Sanjuán D, Delcey MG, Navizet I, Ferré N, Liu YJ, Lindh R. Chemiluminescence and Fluorescence States of a Small Model for Coelenteramide and Cypridina Oxyluciferin: A CASSCF/CASPT2 Study. Journal of Chemical Theory and Computation. 7: 4060-9. PMID 26598351 DOI: 10.1021/Ct2004758 |
0.464 |
|
| 2011 |
Chen SF, Liu YJ, Navizet I, Ferré N, Fang WH, Lindh R. Systematic Theoretical Investigation on the Light Emitter of Firefly. Journal of Chemical Theory and Computation. 7: 798-803. PMID 26596309 DOI: 10.1021/Ct200045Q |
0.486 |
|
| 2011 |
Navizet I, Liu YJ, Ferré N, Roca-Sanjuán D, Lindh R. The chemistry of bioluminescence: an analysis of chemical functionalities. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 3064-76. PMID 21997887 DOI: 10.1002/Cphc.201100504 |
0.372 |
|
| 2010 |
Navizet I, Liu YJ, Ferré N, Xiao HY, Fang WH, Lindh R. Color-tuning mechanism of firefly investigated by multi-configurational perturbation method. Journal of the American Chemical Society. 132: 706-12. PMID 20014859 DOI: 10.1021/Ja908051H |
0.469 |
|
| 2010 |
Navizet I, Komiha N, Linguerri R, Chambaud G, Rosmus P. On the formation of S2O at low energies: An ab initio study Chemical Physics Letters. 500: 207-210. DOI: 10.1016/J.Cplett.2010.10.012 |
0.306 |
|
| 2007 |
Chasovskikh E, Jochnowitz EB, Kim E, Maier JP, Navizet I. Electronic spectrum of the AlC(2) radical. The Journal of Physical Chemistry. A. 111: 11986-9. PMID 17966995 DOI: 10.1021/Jp075169E |
0.366 |
|
| 2006 |
Navizet I, Chambaud G, Rosmus P, Komiha N. The spin-orbit coupling in the bond formation region of the electronic ground states of O-3(+), S-3(+) and SO2+ Chemical Physics. 329: 251-255. DOI: 10.1016/J.Chemphys.2006.06.008 |
0.339 |
|
| 2005 |
Navizet I, Rosmus P. The asymptotic region of the potential energy surfaces relevant for the O(3P) + SO(X3Σ−) reaction Chemical Physics Letters. 411: 457-462. DOI: 10.1016/J.Cplett.2005.06.054 |
0.331 |
|
| 2004 |
Navizet I, Cailliez F, Lavery R. Probing protein mechanics: residue-level properties and their use in defining domains. Biophysical Journal. 87: 1426-35. PMID 15345525 DOI: 10.1529/Biophysj.104.042085 |
0.537 |
|
| 2004 |
Navizet I, Lavery R, Jernigan RL. Myosin flexibility: structural domains and collective vibrations. Proteins. 54: 384-93. PMID 14747987 DOI: 10.1002/Prot.10476 |
0.512 |
|
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