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Fabien Fontaine-Vive’s webpage

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

Research Interests

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)


  • 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