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Researchers detail

Associate Professor

OKUMURA, Hisashi

TEL: 0564-55-7277
FAX: 0564-55-7025
Mail: hokumura_at_ims.ac.jp (Please replace the "_at_" with @ )
Affiliation laboratory:
Location: Myoudaiji, Computer Center Bldg. Room225


Exploratory Research Center on Life and Living Systems, Department of Creative Research

Theoretical and Computational Molecular Science, Computational Molecular Science (adjunct)
Research Center for Computational Science (adjunct)


1998  B.S. Keio University
2002  Ph.D.  Keio University
2002  Postdoctoral Fellow, The University of Tokyo
2002  Research Associate, Institute for Molecular Science
2004  Research Associate, The Graduate University for Advanced Study
2006  Research Lecturer, Nagoya University
2008  Research Assistant, Rutgers University
2009  Assistant Research Professor, Rutgers University
2009  Associate Professor, Institute for Molecular Science
2009  Associate Professor, The Graduate University for Advanced Studies
2018  Associate Professor, Exploratory Research Center on Life and Living Systems

Main research themes

Biomolecular Dynamics Simulation:
Protein Folding, Denaturation, Aggregation, and Amyloid Fibril

kewords Molecular Dynamics Simulation, Protein, Amyloid
PDF Annual Review : PDF

Selected Publications

  1. H. Okumura and S. G. Itoh, “Structural and fluctuational difference between two ends of Aβ amyloid fibril: MD simulation predicts only one end has open conformations”, Sci. Rep. 6, 38422 (9 pages) (2016).
  2. S. G. Itoh and H. Okumura, “Oligomer formation of amyloid-β(29-42) from its monomers using the Hamiltonian replica-permutation molecular dynamics simulation”, J. Phys. Chem. B 120, 6555-6561 (2016).
  3. H. Okumura and S. G. Itoh, “Amyloid fibril disruption by ultrasonic cavitation: Nonequilibrium molecular dynamics simulations,” J. Am. Chem. Soc. 136, 10549-10552 (2014).
  4. S. G. Itoh and H. Okumura: “Replica-permutation method with the Suwa-Todo algorithm beyond the replica-exchange method”, J. Chem. Theory Comput. 9, 570-581 (2013).