主要論文

1. Mori, T., Ishitani, R., Tsukazaki, T., Nureki, O., and Sugita, Y.:
   "Molecular Mechanisms Underlying the Early Stage of Protein Translocation through the Sec Translocon."
   Biochemistry, 49, 945-950 (2010).
2. Imai, T., and Sugita, Y.:
   "Dynamic Correlation between Pressure-Induced Protein Structural Transition and Water Penetration."
   J. Phys. Chem. B, 114, 2281-2286 (2010).
3. Miyashita, N., Straub, J.E., Thirumalai, D., and Sugita, Y.:
   "Transmembrane structures of amyloid precursor protein dimer predicted by replica-exchange molecular dynamics simulations."
   J. Am. Chem. Soc. 131, 3438-3439 (2009).
4. Re, S., Jung, J., Ten-no, S., and Sugita, Y.:
   "A two-dimensional energy surface of the phosphoryl transfer reaction catalyzed by phosphoserine phosphatase."
   Chem. Phys. Lett. 480, 284-288 (2009).
5. Tsukazaki, T., Mori, H., Fukai, S., Ishitani, R., Mori, T., Dohmae, N., Perederina, A., Sugita, Y., Vassylyev, D.G., Ito, K., and Nureki, O.:
   "Conformational transition of Sec machinery inferred from bacterial SecYE structures."
   Nature. 455, 988-992 (2008).
6. Ishitani, R., Sugita, Y., Dohmae, D., Furuya, N., Hattori, M., and Nureki, O.:
   "Mg2+-sensing mechanism of Mg2+ transporter MgtE probed by molecular dynamics study."
   Proc. Natl. Acad. Sci. USA, 105, 15393-15398 (2008)
7. Jung, J., Choi, C.H., Sugita, Y., and Ten-no, S.:
   "New implementation of a combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals."
   J. Chem. Phys. 127, 204102 (2007).
8. Sugita, Y., Miyashita, N., Ikeguchi, M., Kidera, A., and Toyoshima, C.:
   "Protonation of the acidic residues in the transmembrane cation-binding sites of the Ca2+-pump."
   J. Am. Chem. Soc. 127, 6150-6151 (2005).
9. Sugita, Y., Kitao, A., and Okamoto, Y.:
   "Multidimensional replica-exchange method for free-energy calculations."
   J. Chem. Phys. 113, 6042-6051 (2000).
10. Sugita, Y., and Okamoto, Y.:
    "Replica-exchange molecular dynamics method for protein folding."
    Chem. Phys. Lett. 329, 261-270 (1999).

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