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研究者詳細

researcher

Titouan, Jaunet-Lahary

ティトウアン ジオネ-ラハリ / Titouan Jaunet-Lahary

TEL: 0564-55-7272
メールアドレス: tijaunet_at_ims.ac.jp (_at_ は@に置き換えて下さい)
所属研究室:
場所: 明大寺キャンパス 計算科学研究センター棟230号室

所属

 計算科学研究センター

略歴

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
2019.5- Postdoctoral Fellow, Institute for Molecular Sciences, Okazaki, Japan (-2020.11)
2020.12- Postdoctoral Fellow, Research Center for Computational Science

専門

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

主な研究テーマ

Study of ion exchanger membrane protein
キーワード Molecular Dynamics simulations, Transition Path

代表的な論文・著書

  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. C118 (2014) 28831