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Researchers detail

Assistant Professor

MORI, Toshifumi

TEL: 0564-55-7305
Mail: mori_at_ims.ac.jp (Please replace the "_at_" with @ )
Affiliation laboratory:
Location: Myoudaiji, South Laboratory Bldg. Room418


Theoretical and Computational Molecular Science, Theoretical Molecular Science I


2005  B.Sc., Chemistry, Kyoto University
2007  M.Sc., Chemistry, Kyoto University
2010  Ph.D., Chemistry, Kyoto University
2008  JSPS fellow (DC2)
2010  Postdoc at Stanford University
2012  Postdoc at University of Wisconsin, Madison
2013  JSPS fellow for Research Abroad
2013- Assistant professor, Institute for Molecular Science
2014- Assistant Professor, The Graduate University for Advanced Studies


2008 Poster award at the World Congress of World Association of Theoretical and Computational Chemists (WATOC)
2011 Best presentation award at the Annual Symposium of the Japan Society for Molecular Science
2012 Poster award at the 14th International Congress of Quantum Chemistry (ICQC) 2017 Early Career Presentation Award (from the Biophysical Society of Japan)

Specialized field

Theoretical Chemistry, Statistical Physics, Biophysics, Biophysical Chemistry

Main research themes

(1) Chemical reaction dynamics and its function in protein system
(2) Protein dynamics and its function, allosteric regulation
(3) Development of novel methods to study these topics

kewords condensed phase chemical reactions,hierarchical protein dynamics, free energy

Selected Publications

  1. T. Mori, W. J. Glover, M. Schuurman, T. J. Martínez, “Role of Rydberg States in the Photochemical Dynamics of Ethylene”, J. Phys. Chem. A 116, 2808-2818 (2012).
  2. T. Mori, T. J. Martínez, “Exploring the Conical Intersection Seam: The Seam Space Nudged Elastic Band Method”, J. Chem. Theory Comput. 9, 1155-1163 (2013).
  3. T. Mori, R. J. Hamers, J. A. Pedersen, Q. Cui, “An Explicit Consideration of Desolvation is Critical to Binding Free Energy Calculations of Charged Molecules at Ionic Surfaces”, J. Chem. Theory Comput. 9, 5059-5069 (2013).
  4. T. Mori, S. Saito, “Dynamic Heterogeneity in the Folding/Unfolding Transitions of FiP35,” J. Chem. Phys. 142, 135101 (7 pages) (2015).
  5. T. Mori, S. Saito, “Molecular Mechanism Behind the Fast Folding/Unfolding Transitions of Villin Headpiece Subdomain: Hierarchy and Heterogeneity”, J. Phys. Chem. B 120, 11683-11691 (2016).