Lab Seminars
+FY 2006

2007/02/13 The 19th., Lab Seminar
Takuya Okamoto
"Friction and diffusion of a Brownian particle in a mesoscopic solvent"

2007/02/13 The 18th., Lab Seminar
Chiharu Iwahashi
"(卒論発表)アンサンブル摂動法によるCOリガンド光解離に伴う単量体ヘモグロビンサブユニット構造変形の理論的解析"

2007/01/15 The 17th., Lab Seminar
Yukinori Nakagawa
"Structure and Dynamics of Hydrated NH4+: An ab initio QM/MM Molecular Dynamics Simulation"

2006/12/11 The 16th., Lab Seminar
Haruko Hitomi
"Motion of methanol asdsorbed in porous coodination polymer with paramagnetic metal ions"
"Highly controlled acetylene accommodation in a metal-organic microporous materials"

2006/12/04 The 15th., Lab Seminar
Norio Takenaka
"Capillary waves at the liquid-vapor interface and the surface tension"

2006/11/22 The 14th., Lab Seminar
Yusuke Ohta
"Understanding Hydrogen Adsorption in Metal-Organic Frameworks with Open Metal Sites: A Computational Study"

2006/11/06 The 13th., Lab Seminar
Masayoshi Takanayagi
"Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations"

2006/10/30 The 12th., Lab Seminar
Yoshiyuki Koyano
"Geometry optimization of molecules in solution: Joint use of the mean field approximation and the free-energy gradient method"

2006/10/17 The 11th., Lab Seminar
Isseki Yu
"Partial Molar Volume of Proteins Studied by the Three-Dimensional Reference Interaction Site Model Theory"

2006/09/12 The 10th., Lab Seminar
Takuya Okamoto
"A new method to reconstruct three-dimensional spatial distribution function from radial distribution function in solvation structure"

2006/09/05 The 9th., Lab Seminar
Chiharu Iwahashi
"The barrier for heme-protein separation estimated by non-equilibrium molecular dynamics simulations"

2006/07/04 The 8th., Lab Seminar
Yukinori Nakagawa
"Ionization of Bases in Water:Structure and Stability of the NH4+...OH- Ionic Forms in Ammonia-Water Clusters"

2006/07/04 The 7th., Lab Seminar
Haruko Hitomi
"Computational Study of Hydrogen binding by Metal-Organic Framework-5"

2006/07/04 The 6th., Lab Seminar
Norio Takenaka
"Development of a simple, self-consistent polarizable model for liquid water"

2006/06/27 The 5th., Lab Seminar
Yusuke Ohta
"Perturbation Approach to Combined QM/MM Simulation of Solute-Solvent Interactions in Solution"

2006/06/13 The 4th., Lab Seminar
Masayoshi Takayanagi
"A Strand-Loop-Strand Structure Is a Possible Intermediate in Fibril Elongation: Long Time Simulations of Amyloid-β Peptide (10-35)"

2006/06/06 The 3rd., Lab Seminar
Yoshiyuki Koyano
"A molecular-dynamics study of a model SN1 dissociation reaction at the water liquid/vapor interface"

2006/05/16 The 2nd., Lab Seminar
Yu Isseki
"Hydrogen Bonding in Helical Polypeptides from Molecular Dynamics Simulations and Amide Hydrogen Exchange Analysis: Alamethicin and Melittin in Methanol"

2006/05/09 The 1st., Lab Seminar
Takuya Okamoto
"Simultaneous Brownian motion of N particles in a temperature gradient"