RESEARCH　

• Development of reference-modified density functional theory
  
  [1] T. Sumi, A. Mitsutake, and Y. Maruyama, A Solvation-Free-Energy Functional: A Reference-Modified Density Functional Formulation. J. Comput. Chem. 36, 1359–1369 (2015).
  [2] T. Sumi, A. Mitsutake, Y. Maruyama, and K. Koga, A reference-modified density functional theory: An application to solvation free energy calculations for a Lennard-Jones solution. J. Chem. Phys. 144, 224104-1–1224104-15 (2016).
  [3] T. Sumi, Y. Maruyama, A. Mitsutake, K. Mochizuki, and K. Koga, Application of Reference-Modified Density Functional Theory: Temperature and Pressure Dependences of Solvation Free Energy. J. Comput. Chem. 39, 202–216 (2018).
  

• Theoretical assessment of Kauzmann's hydrophobic hypothesis on protein folding stability
  
  [1] T. Sumi, Y. Maruyama, A. Mitsutake, K. Mochizuki, and K. Koga, Application of Reference-Modified Density Functional Theory: Temperature and Pressure Dependences of Solvation Free Energy. J. Comput. Chem. 39, 202–216 (2018).
  [2] T. Sumi and K. Koga, Theoretical analysis on thermodynamic stability of chignolin. Sci. Rept. 9, 5186-1–5186-9 (2019).

• Model-potential-free analysis on small-angle X-ray scattering of nanoparticles
  
  [1] T. Sumi, H. Imamura, T. Morita, Y. Isogai, and K. Nishikawa, A model-free method for extracting interaction potential between protein molecules using small-angle X-ray scattering. J. Mol. Liq. 200, 42–46 (2014).
  [2] T. Sumi, H. Imamura, T. Morita, Y. Isogai, and K. Nishikawa, Model-potential-free analysis of small angle scattering of proteins in solution: insights into solvent effects on protein–protein interaction. Phys. Chem. Chem. Phys. 16, 25492–25497, (2014).
  [3] T. Morita, N. Uehara, K. Kuwahata, H. Imamura, T. Shimada, K. Ookubo, M. Fujita, and T. Sumi, Interaction Potential between Biological Sensing Nanoparticles Determined by Combining Small-Angle X ray Scattering and Model-Potential-Free Liquid Theory. J. Phys. Chem. C 120, 25564–25571 (2016).
  [4] T. Morita, Y. Ogawa, H. Imamura, K. Ookubo, N. Uehara and T. Sumi, Interaction potential surface between Raman scattering enhancing nanoparticles conjugated with a functional copolymer. Phys. Chem. Chem. Phys. 21, 16889-16894 (2019).
  [5] T. Morita, S. Mukaide, Z. Chen, K. Higashi, H. Imamura, K. Moribe, and T. Sumi, Unveiling interaction potential surface between drug-entrapped polymeric micelles clarifying the high drug nanocarrier efficiency. Nano Lett. 21, 1303–1310 (2021).

• Design principles of biological molecular motors and its free-energy transduction efficiency
  
  [1] T. Sumi, Design principles governing chemomechanical coupling of kinesin. Sci. Rept. 7, 1163-1–1163-13 (2017).
  [2] T. Sumi, Myosin V: Chemomechanical-coupling ratchet with load-induced mechanical slip. Sci. Rept. 7, 13489-1–13489-12 (2017).
  [3] T. Sumi and S. Klumpp, Is F1-ATPase a Rotary Motor with Nearly 100% Efficiency? Quantitative Analysis of Chemomechanical Coupling and Mechanical Slip. Nano Lett. 19, 3370–3379 (2019).

• Unified mechanism underlying hippocampal long-term potentiation and depression
  
  [1] T. Sumi and K. Harada, Mechanism underlying hippocampal long-term potentiation and depression based on competition between endocytosis and exocytosis of AMPA receptors. Sci. Rept. 10, 14711-1–14711-14 (2020).

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