Site du DCM - Université Grenoble Alpes

ANNE MILET

Professeur des universités

Affiliation

Université Grenoble Alpes

Équipe de recherche

DCM-SITH

Domaines de recherche

Theoretical Chemistry, Quantum Chemsitry, Dynamics, Metadynamics, intermolecular interactions

Disciplines scientifiques

Architecture (ses théories et ses pratiques), arts appliqués, arts plastiques, arts du spectacle, épistémologie des enseignements artistiques, esthétique, musicologie, musique, sciences de l'art

Habilitation à diriger des recherches

Réactivité et Interactions : Etudes Théoriques

Responsabilités

Since 2021: Dean of the Chemistry and Biology Department
Since 2017: PI of the “Ecole Universitaire de Recherche” = Graduate School Chemistry Biology Health
2016-18: Chair of the Labex (Laboratory of Excellence) Arcane = Chemistry in Grenoble
2011-2019: Adjunct Director of the Département de Chimie Moléculaire DCM UMR 5250.
2012-2016: Vice President of International Affairs UJF Grenoble-I
2003-2012: Coordinator of the BSc in Chemistry
2001-2012: Coordination of International Relations for the Chemistry Department
2002-2008: Coordinator of the first year of Master in Physical Chemistry

Youssef-Saliba, S., Milet A., & Vallee Y. (2022). Did Homocysteine Take Part in the Start of the Synthesis of Peptides on the Early Earth ?. Biomolecules. 12(4), 555.

Sun, L., Adam S. M., Mokdad W., David R., Milet A., Artero V., et al. (2022). A bio-inspired heterodinuclear hydrogenase CoFe complex. Faraday Discuss.. 234, 34-41.

Dard, C., Leforestier B., Hilário F. Francisco, Traoré M. Dit Mady, Lespinasse M-A., Peres B., et al. (2021). Crossing of the Cystic Barriers of Toxoplasma gondii by the Fluorescent Coumarin Tetra-Cyclopeptide. Molecules. 26,

Sun, L., Adam S. M., Mokdad W., David R., Milet A., Artero V., et al. (2021). A bio-inspired heterodinuclear CoFe complex of the hydrogenases. Faraday Discuss.. -.

Leqraa, N., Nicolet Y., Milet A., & Vallee Y.. (2020). A way to thioacetate esters compatible with non-oxidative prebiotic conditions. Scientific Reports. 10, 14488.

Khazri, M.., Sahra K.., Milet A., Jamoussi B.., & Messaoudi S.. (2020). DFT and TDDFT Study of 4-((Furan-2-Ylmethyl)Sulfonyl)-Substituted ZINC(II) Phthalocyanine: Importance of Grimme Dispersion with A Becke–Johnson Damping Correction and the Substituent Effect. Journal of Structural Chemistry. 61, 844–851.

Bresnahan, C. G., David R., Milet A., & Kumar R. (2019). Ion Pairing in HCl-Water Clusters: From Electronic Structure Investigations to Multiconfigurational Force-Field Development. The Journal of Physical Chemistry A.

Don, V. Subasinghe, David R., Du P., Milet A., & Kumar R. (2019). Interfacial Water at Graphene Oxide Surface: Ordered or Disordered?. The Journal of Physical Chemistry B. 123, 1636–1649.

Bresnahan, C. G., Taylor-Edinbyrd K. A., Cleveland A. H., Malone J. A., Dange N. S., Milet A., et al. (2019). Mechanistic Perspectives in the Regioselective Indole Addition to Unsymmetrical Silyloxyallyl Cations. The Journal of Organic Chemistry.

Perna, F. M., Falcicchio A., Salomone A., Milet A., Rizzi R., Hamdoun G., et al. (2019). First Direct Evidence of an ortho-Lithiated Aryloxetane: Solid and Solution Structure, and Dynamics. European Journal of Organic Chemistry. 2019, 5549–5556.

Shalayel, I., Coulibaly S., Ly K. Dung, Milet A., & Vallee Y.. (2018). The Reaction of Aminonitriles with Aminothiols: A Way to Thiol-Containing Peptides and Nitrogen Heterocycles in the Primitive Earth Ocean. Life. 8(4),

Gatineau, D., Lesage D., Clavier H., Dossmann H., Chan C. H., Milet A., et al. (2018). Bond dissociation energies of carbonyl gold complexes: a new descriptor of ligand effects in gold(I) complexes?. Dalton Trans.. 47, 15497–15505.

David, R., Jamet H., Niviere V., Moreau Y., & Milet A. (2017). Iron hydroperoxide intermediate in superoxide reductase: Protonation or dissociation first? MM dynamics and QM/MM metadynamics study.. J. Chem. Theory Comput.. 13, 2987–3004.

Gatineau, D., Memboeuf A., Milet A., Cole R. B., Dossmann H., Gimbert Y., et al. (2017). Experimental bond dissociation energies of benzylpyridinium thermometer ions determined by threshold-CID and RRKM modeling.. Int. J. Mass Spectrom.. 417, 69–75.

Vallee, Y.., Shalayel I., Ly K-D., Rao K. V. Raghaven, De Paepe G., Marker K., et al. (2017). At the very beginning of life on Earth: the thiol-rich peptide (TRP) world hypothesis.. Int. J. Develop. Biol.. 61, 471–478.

Vallee, Y.., Milet A., & Rao K. V. Raghaven (2016). Was methionine the molecular trigger of life on early earth?.. Phosphorus, Sulfur Silicon Relat. Elem.. 191, 329–332.

Rao, K. V. Raghaven, Caiveau N., David R., Shalayel I., Milet A., & Vallee Y.. (2015). Theoretical Study, Synthesis, and Reactivity of Five-Membered-Ring Acyl Sulfonium Cations.. Eur. J. Org. Chem.. 2015, 6125–6129.

Kahlfuss, C., Milet A., Wytko J., Weiss J., Saint-Aman E., & Bucher C. (2015). Hydrogen-Bond Controlled π-Dimerization in Viologen-Appended Calixarenes: Revealing a Subtle Balance of Weak Interactions.. Org. Lett.. 17, 4058–4061.

Sokolowski, K., Bury W., Tulewicz A., Cieslak A. M., Justyniak I., Kubicki D., et al. (2015). Experimental and Computational Insights into Carbon Dioxide Fixation by RZnOH Species.. Chem. - A Eur. J.. 21, 5496–5503.

Rullière, P., Carret S., Milet A., & Poisson J-F. (2015). Kinetic Resolution in the [2+2] Cycloaddition of Ketenes: An Experimental and Theoretical Study.. Chem. Eur. J.. 21, 3876–3881.

Kahlfuss, C., Metay E., Duclos M-C., Lemaire M., Milet A., Saint-Aman E., et al. (2015). Chemically and Electrochemically Triggered Assembly of Viologen Radicals: Towards Multiaddressable Molecular Switches.. Chem. - A Eur. J.. 21, 2090–2106.

Bochot, C., Gouron A., Bubacco L., Milet A., Philouze C., Reglier M., et al. (2014). Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations.. Chem. Commun. (Cambridge, United Kingdom). 50, 308–310.

Lesage, D., Milet A., Memboeuf A., Blu J., Greene A. E., Tabet J-C., et al. (2014). The Pauson-Khand Mechanism Revisited: Origin of CO in the Final Product.. Angew. Chem. Int. Ed.. 53, 1939–1942.

Haudecoeur, R., Gouron A., Dubois C., Jamet H., Lightbody M., Hardre R., et al. (2014). Investigation of Binding-Site Homology between Mushroom and Bacterial Tyrosinases by Using Aurones as Effectors.. ChemBioChem. 15, 1325–1333.

Gouron, A., Milet A., & Jamet H. (2014). Conformational flexibility of human casein kinase catalytic subunit explored by metadynamics.. Biophys. J.. 106, 1134–1141.

Kahlfuss, C., Metay E., Duclos M-C., Lemaire M., Oltean M., Milet A., et al. (2014). Reversible dimerization of viologen radicals covalently linked to a calixarene platform: Experimental and theoretical aspects.. Comptes Rendus Chim.. 17, 505–511.

Koeller, S., Thomas C., Peruch F., Deffieux A., Massip S., Leger J-M., et al. (2014). $\alpha$-Halogenoacetanilides as Hydrogen-Bonding Organocatalysts that Activate Carbonyl Bonds: Fluorine versus Chlorine and Bromine.. Chem. - A Eur. J.. 20, 2849–2859.

Boichot, R., Coudurier N., Mercier F., Claudel A., Baccar N., Milet A., et al. (2014). CFD modeling of the high-temperature HVPE growth of aluminum nitride layers on c-plane sapphire: from theoretical chemistry to process evaluation.. Theor. Chem. Acc.. 133, 1–13.

Devillers, C. H., Milet A., Moutet J-C., Pécaut J., Royal G., Saint-Aman E., et al. (2013). Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.. Dalt. Trans.. 42, 1196–1209.

Milet, A., Gouron A., David R., Jamet H., & Vallee Y.. (2013). En route to life: The very first step.. Abstracts of Papers, 246th ACS National Meeting {&} Exposition, Indianapolis, IN, United States, September 8-12, 2013.