PeopleMembers

Senior Technical Scientist Jaewoon Jung

Educations

2005 Ph.D. (Physics) Korea Advanced Institute of Science and Techonology, Korea
2000 M.S. (Physics) Korea Advanced Institute of Science and Techonology, Korea
1994 B.S. (Physics) Korea Advanced Institute of Science and Techonology, Korea

Research and teaching experiences

2010-present Research Scientist, RIKEN Advanced Institute for Computational Science, Japan
2010 Assistant Professor Extraordinary, Graduate School of System Informatics, Kobe University, Japan
2009 Assistant Professor Extraordinary, Graduate School of Engineering, Kobe University, Japan
2006 Post Doctor, Graduate School of Information Science, Nagoya University, Japan
2005 Post Doctor, Department of Chemistry, Korea Institute of Science and Technology, Korea

Professional affiliations

The Biophysical Society of Japan, Japan Society for Molecular Science

Research projects

  1. Development of parallel Molecular Dynamics program
  2. Development of QM/MM program and simulations of the enzyme reactions

Publications

  1. Jung, J., Mori, T., Sugita, Y. Midpoint Cell Method for Hybrid (MPI+OpenMP) Parallelization of Molecular Dynamics Simulations. (2014) J. Comp. Chem.35: 1064-1072.
  2. Mori, T., Jung, J., Sugita, Y. Surface-tension replica-exchange molecular dynamics method for enhanced sampling of biological membrane systems. (2013) J. Chem. Theory Comput. 9: 5629-5640.
  3. Jung, J., Mori, T., Sugita, Y. Efficient lookup table using a linear function of inverse distance squared. (2013) J. Comput. Chem. 34: 2412-2420.
  4. Jung, J., Re, S., Sugita, Y., Ten-no, S. Improved constrained optimization method for reaction-path determination in quantum mechanical/molecular mechanical calculations. (2013) J. Chem. Phys. 138: 044106 (10 pages).
  5. Kitagawa, Y., Akinaga, Y., Kawashima, Y., Jung, J., Ten-no, S. A QM/MM-MD study on protein electronic properties: Circular dichroism spectra of oxytocin and insulin. (2012) Chem. Phys. 401: 95-102.
  6. Akinaga, Y., Jung, J., Ten-no, S. QM/MM calculation of protein magnetic shielding tensors with generalized hybrid-orbital method: A GIAO approach. (2011) Phys. Chem. Chem. Phys. 13:14490-14499.
  7. Kawashima, Y., Nakano, H., Jung, J., Ten-no, S. A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals : Implementation for electronic excited states. (2011) Phys. Chem. Chem. Phys. 13:11731-11738.
  8. Re, S., Imai, T., Jung, J., Ten-no, S., Sugita, Y. Geometrically Associative Yet Electronically Dissociative Character in the Transition State of Enzymatic Reversible Phosphorylation. (2011) J. Comput. Chem. 32:260–270.
  9. Jung, J., Sugita, Y., Ten-no, S. Møller-Plesset gradient implementation in the generalized hybrid orbital (GHO) method. (2010) J. Chem. Phys. 132: 084106 (6 pages).
  10. Jung, J., Bugals, A.J., Lee, E. Topological quantities determining the folding/unfolding rate of two-state folding proteins. (2010) J. Sol. Chem. 39:943-958.
  11. Jung, J., Ten-no, S. Simple avoidance of Pauli repulsion errors in the generalized hybrid orbital (GHO) method. (2010) Chem. Phys. Lett. 484:344-348.
  12. Ten-no, S., Jung, J., Chuman, H., Kawashima, Y. Assessment of free energy expressions in RISM integral equation theory: Theoretical prediction of partition coefficients revisited. (2010) Mol. Phys. 108:327-332.
  13. Re, S., Jung, J., Ten-no, S., Sugita, Y. A two-dimensional energy surface of the phosphoryl transfer reaction catalyzed by phosphoserine phosphatase. (2009) Chem. Phys. Lett. 480:284-288.
  14. Jung, J., Choi, C.H., Sugita, Y., Ten-no, S. New implementation of a combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals. (2007) J. Chem. Phys. 127:204102 (12 pages).
  15. Jung, J., Lee, J., Moon, H. Topological Determinants of protein unfolding rates. (2005) Proteins:Structure, Function, and Bioinformatics 58:389-395.
  16. Jung, J., Lee, J., Moon, H. Identification of the Protein Native Structure by Using a Sequence-Dependent Feature in Contact Maps. (2005) J. Korean Phys. Soc. 46:625-630.