Institut de Chimie de Nice UMR 7272

PhD, Engineer in computational chemistry
Responsable du Service de Modélisation et d’Imagerie Moléculaire
Institut de Chimie de Nice
Université de Nice Sophia Antipolis
Tel : +334 92 07 61 23
Fax : +334 92 07 61 51

ffontaine@unice.fr

Research Interests

• Network in proteins (network analysis, molecular dynamics)
• Inhibition mechanism of antiviral drugs (molecular dynamics, docking)
• Catalysis with nanoparticles and metal complexes, thin films (DFT methods)

Academic Career

• 2010-now : Engineer in computational chemistry
• 2007-2009 : Post-doc at CEA-Léti, Laboratoire de Simulation et de Caractérisation des Procédés, Grenoble
• 2003-2006 : PhD in theoretical physical-chemistry, Delft University of Technology (Fundamental Aspects of Materials and Energy research, Pr. Kearley’s group, the Netherlands) and Institut Laue Langevin (Computing for Science, Pr. Johnson’s group, Grenoble)

Publications

• Inhibition mechanism of antiviral drugs, protein/DNA interactions

Rational Design of Push–Pull Fluorene Dyes : Synthesis and Structure–Photophysics Relationship
Janah Shaya, Dr. Fabien Fontaine-Vive, Dr. Benoît Y. Michel, Prof. Dr. Alain Burger, Chem. Eur. J., 2016, 22, 1-12

Pan-genotypic Hepatitis C Virus Inhibition by Natural Products Derived from the Wild Egyptian Artichoke
M. Elsebai, G. Koutsoudakise, V. Saludese, G. Pérez-Vilaró, A. Turpeinen, S. Mattila, A. M. Pirttilä, F. Fontaine-Vive, M. Mehiri, A. Meyerhans and J. Dieze, J. of Virology, 2016, vol. 90 no. 4 1918-1930

New isocyanide antibiotics with broad spectrum against Gram-negative pathogens produced by cultures of an unidentified fungus
N El Aouad, V Gonzalez, M De la Cruz, L Lorenzo, JR Tormo, J Martin, I Perez-Victoria, C Diaz, F Vicente, F Fontaine-Vive, OP Thomas, O Genilloud, F Reyes, Planta Med 2014

Artificial nucleobase-amino acids conjugates : a new class of TAR RNA binding agents
J.P. Joly, G. Mata, P. Eldin, L. Briant, F. Fontaine-Vive, M. Duca and R. Benhida, Chem. Eur. J., 2014

On the structure of thorium and americium adenosine triphosphate complexes
S. Mostapha ; F. Fontaine-Vive ; N. Boubals ; N. Zorz ; P. Solari ; M.C. Charbonnel ; C. Den Auwer, Int. J. of Rad. Biol., 2014

On the use of X ray Absorption Spectroscopy to elucidate the structure of lutetium adenosine mono and triphosphate complexes
S. Mostapha, F. Fontaine-Vive, M. Gaysinski, D. Guillaumont, L. Massi, I. Monfardini, P.L. Solari, O.P. Thomas, M. C. Charbonnel, C. Den Auwer, Anal. Bioanal. Chem, 2014, 406(4):1049-61

Collagen and component polypeptides : low frequency and amide vibrations
F. Fontaine-Vive, M. Johnson, G.J. Kearley, Chem. Phys., 2009, vol. 355, p.141-148

Neutron vibrational spectroscopy gives new insights into the structure of poly(p-phenylene terepthalamide)
M. Plazanet, F. Fontaine-Vive et al., J. Am. Chem. Soc., 2005, vol.127, p.6672-6678

Molecular insight into the inhibition mechanism of Reverse-Transcriptase inhibitors by use of molecular dynamics simulation
F. Fontaine-Vive, J. Golebiowsi, A. Burger, in preparation

• Catalysis with nanoparticles and metal complexes, thin films

Synergies in the catalytic activity of bimetallic nanoparticles and new synthetic methods for the preparation of fine chemicals
I. Francesco, F. Fontaine-Vive, S. Antoniotti, Chem. Cat. Chem., 2014

Novel radical tandem 1,6-enynes thioacylation / cyclisation : Au-Pd nanoparticles catalysis versus thermal activation as a function of the substrate specificity
I. Francesco, J. Giauffret, F. Fontaine-Vive, J. Edwards, G. Hutchings, S. Antoniotti, Tetrahedron, 2014

Access to polycyclic derivatives by triflate-catalysed intramolecular hydroarylation
B. Cacciuttolo, S. Poulain-Martini, F. Fontaine-Vive, M. A. H. Abdo, H. El Kashef, E. Dunach, EuroJOC 2014

Experimental and Theoretical Studies on the Bismuth-Triflate-Catalysed Cycloisomerisation of 1,6,10-Trienes and Aryl Polyenes
J. Godeau, F. Fontaine-Vive, S. Antoniotti, E. Dunach, Chem. Eur. J., 2012, 18(52):16815-22

Effective work function of a TiN/HfO2/SiO2/Si MOS stack : ab-initio treatment
P.Y. Prodhomme, F. Fontaine-Vive, P. Blaise, App. Phys. Lett., 2011, 99, 022101

Atomistic study of Metal/High-k interface
P.Y. Prodhomme, F. Fontaine-Vive, P. Blaise et al., Sim. of Semiconduc. Dev. (SISPAD) 2007, p.437-440

• DNA vibration and base-pair opening

Force-induced structural transitions in cross-linked DNA films
A. André, F. Fontaine-Vive, T. Forsyth, V. Maoller, H. Fisher, G. Maret, T. Gisler, Eur. Biophys. J., 2008, 37, p.749-757

NMscatt : a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations
F. Merzel, F. Fontaine-Vive, M. Johnson, Comp. Phys. Comm., 2007, vol.177, p.530-538

Atomistic model of DNA : Phonons and base-pair opening
F. Merzel, F. Fontaine-Vive, M. Johnson, G. Kearley, Phys. Rev. E, 2007, vol.76, 031917

• Proton transfer and reactivity

How phonons govern the behavior of short strong hydrogen bonds in Urea-Phosphoric Acid
F. Fontaine-Vive, M. Johnson, G. Kearley et al., J. Am. Chem. Soc., 2006, vol.128, p.2963-2969

Phonon driven proton transfer in crystals with short strong hydrogen bonds
F. Fontaine-Vive, M. Johnson, G. Kearley, J. Cowan, J. Howard, S. Parker, J. Chem. Phys., 2006, vol.124, 234503

Optimization of cosmetic preservation : water activity reduction,
A. Kerdudo, F. Fontaine-Vive, A. Dingas, C. Faure, X. Fernandez, Int. J. of Cosmetic Science, 2015, 37, 31-40