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Lab Seminars
+FY 2003
2004/03/18 The 21st., Lab Seminar
Hiromichi Nagao
"Hydrogen bonding in solid ammonia from ab initio calculations"
2004/03/04 The 20th., Lab Seminar
Yoichi Jindo
"The Probability Distribution of Side-Chain Conformations in [Leu] and [Met] enkephalin Determines the Potency and Selectivity to mu and delta Opiate Receptors"
2004/02/26 The 19th., Lab Seminar
Yusuke Ohta
"A Priori Evaluation of Aqueous Polarization Effects Through Monte Carlo QM/MM Simulations"
2004/02/19 The 18th., Lab Seminar
Isseki Yu
"The Molecular Mechanism of Stabilization of Proteins by TMAO and Its Ability to Counteract the Effects of Urea"
2003/12/11 The 17th., Lab Seminar
Hiroaki Kubota
"Quantum mechanical thermal rate constant: estimating the flux-flux autocorrelation function by the complex type stochastic quantization method"
2003/12/04 The 16th., Lab Seminar
Yuuki Ohishi
"Rotational dynamics of an NH4+ ion in water"
2003/11/27 The 15th., Lab Seminar
Yoshiyuki Koyano
"Treatment of long-range interactions: the Ewald Sum"
2003/11/20 The 14th., Lab Seminar
Masayoshi Takayanagi
"Waterproofing the Heme Pocket"
2003/11/13 The 13th., Lab Seminar
Yukihiko Nagae
"Dynamical hierarchy in transition states: Why and　how does a system climb over the mountain?"
2003/11/06 The 12th., Lab Seminar
Takuya Okamoto
"Ensemble processing and the global characterization of temporal and spatial fluctuations"
2003/10/30 The 11th., Lab Seminar
Hiromichi Nagao
"An intermolecular potential model for the simulation of ice and water near the melting point: A six-site model of H2O"
2003/10/23 The 10th., Lab Seminar
Youichi Jindo
"Structual and Dynamical Analysis of the Hydrogen of the Alzheimer's beta-Amiloid Peptide"
2003/10/16 The 9th., Lab Seminar
Yusuke Ohta
"The Carbon-Lithium Electron Pair Bond in (CH3Li)n (n = 1, 2, 4)"
2003/07/31 The 8th., Lab Seminar
Isseki Yu
"Binary fluid mixture confined between macroparticles"
2003/07/17 The 7th., Lab Seminar
Akimitsu Demura
"A theoretical study on the associated state of (CH3Li)n in THF."
2003/07/10 The 6th., Lab Seminar
Hiroaki Kubota
"Efficient and general algorithms for path integral Car-Parrinello molecular dynamics"
2003/07/03 The 5th., Lab Seminar
Yuuki Ohishi
"Geometry optimization of molecules in aqueous solution: Joint use of the mean field approximation and the free-energy gradient method"
2003/06/19 The 4th., Lab Seminar
Yoshiyuki Koyano
"Surface melting of (0001) face of TIP4P ice"
2003/05/29 The 3rd., Lab Seminar
Masayoshi Takayanagi
"Molecular Dynamics Simulations of the Unfolding of Apomyoglobin in Water"
2003/05/22 The 2nd., Lab Seminar
Yukihiko Nagae
"Quantum effect of solvent on molecular vibration energy relaxation of solute based upon path integral influence function theory"
2003/05/15 The 1st., Lab Seminar
Takuya Okamoto
"Tsallis Statistics"
>> FY 2002
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