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Researchers detail

Researcher

Titouan Jaunet-Lahary

TEL: 0564-55-7303
Mail: tijaunet_at_ims.ac.jp (Please replace the "_at_" with @ )
Affiliation laboratory:
Location: Myoudaiji, South Laboratory Bldg

Department

Department of Theoretical and Computational Molecular Science

Biography

2012-2014 Master Degree (Molecular, Materials and Drug Analysis), University de Nantes, France
2014-2017 PhD. Computational Chemistry, Chimie et interdisciplinarité, Synhèse, Analyse, Modélisation (CEISAM), Université de Nantes, France
2016 Japan Society for the promotion of Science (JSPS) Summer Program, Fukui Institute for Fundamental Chemistry (FIFC), Kyoto, Japan

Specialized field

Theoretical chemistry, QM(DFT, TD-DFT)and MM(MD) calculations, Protein-Ligand interactions.

Main research themes

Study of ion exchanger membrane protein
kewords Molecular Dynamics simulations, Transition Path

Selected Publications

  1. T. Jaunet-Lahary, D. P. Vercauteren, F. Fleury and A. D. Laurent Computational Simulations Determining Disulfonic Stilbene Derivatives Biodisponibility Within Human Serum Albumin
    Phys. Chem. Chem. Phys., 2018, 20 (2018) 18020
  2. S. Budzak, T. Jaunet-Lahary, A.D. Laurent, C. Laurence, M. Medved and D. Jacquemin Exploring the Solvatochromism of Betaine 30 with Ab Initio Tools: From Accurate Gas-Phase Calculations to Implicit and Explicit Solvation Models Chem. Eur. J., 23 (2017) 4108
  3. T. Jaunet-Lahary, A. Goupille, D. Jacquemin, F. Fleury, J. Graton and A.D. Laurent A Joint Theoretical and Experimental Study of the Behavior of the DIDS Inhibitor and its Derivatives
    Chem. Phys. Chem., 17 (2016) 2434
  4. T. Jaunet-Lahary, A. Chantzis, K.J. Chen, A.D. Laurent and D. Jacquemin Designing Efficient Azobenzene and Azothiophene Nonlinear Optical Photochromes J. Phys. Chem. C, 118 (2014) 28831