Nagaoka Laboratory Graduate School of Information Science, Nagoya University


+FY 2013
-2014.3.27-30The 94th CSJ Annual Meeting[Nagoya University, Higashiyama Campus (Aichi,Japan)]
3E1-48 Statistical analysis of protein structural dynamics with ensemble molecular dynamics simulation
-2013.12.2-65th JCS International Symposium on Theoretical Chemistry[Todai-ji Culture Center (Nara,Japan)]
On-1 Multiple oxygen entry pathways in T-state human hemoglobin revealed by ensemble MD simulation
PIb-05 Spontaneous Conformational Change of the C-terminal Region of U1A Suggests a Combined Mechanism of Conformational-selection and Induced-fit in the U1A-RNA Molecular Recognition
PIb-08 Explicit solvent effects on vibrational spectra of glycine: Vibrational frequency analysis using analytical Hessian
PIIb-01 2-Chlorobutane racemization process in DMF solution: Application of hybrid MC/MD reaction method
PIIb-08 Electrolyte-Dependent Characteristics of the Solid Electrolyte Interphase Film Formation in the Lithium-Ion Batteries
-2013.09.24-27Annual Meeting of Japan Society for Molecular Science[Kyoto TERRSA (Kyoto,Japan)]
2D03 Atomistic simulation of 2-chlorobutane racemization process in DMF solution
2B21 Electrolyte dependency of the solid electrolyte interphase (SEI) formation in the second cell electrodes
4D06 Theoretical study on multiple oxygen entry pathways in T-state human hemoglobin
4P118 Molecular dynamical study of diffusion behavior of p-toluenesulfonic acid in polyhydroxystyrene
-2013.07.10-13The 6th Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 6)[Gyeongju Hilton Hotel (Gyeongju,Korea)]
I19(S-1) Exploring Free-Energy Landscapes of Chemical Dynamics in Molecular Condensed States: Ab initio QM/MM-MD Free-Energy Gradient (FEG) Method.
PS12(S-B) Vibrational Frequency Analysis with the Explicit Solvation Effect
-2013.05.15-17The 16th Symposium on Theoretical Chemistry[FUKUOKA Health Support Promotion Center (Fukuoka,Japan)]
1P36 Development of vibrational frequency analysis routine in solution including microscopic solvation: application to neutral-form glycine conformers