+FY 2008

2008/12/11 The 10th., Lab Seminar
Yoshiyuki Koyano
"Interfacing ab Initio Quantum Mechanical Method with Classical Drude Osillator Polarizable Model for Molecular Dynamics Simulation of Chemical Reactions"

2008/11/06 The 9th., Lab Seminar
Takuya Okamoto
"Generalized Fokker-Planck equation, Brownian motion, and ergodicity"

2008/10/30 The 8th., Lab Seminar
Chiharu Iwahashi
"Crystals of haemoglobin with the T quarternary structure bind oxygen noncooperatively with no Bohr effect"

2008/10/08 The 7th., Lab Seminar
Chiharu Iwahashi
"COリガンド光解離後に生じるヘモグロビンサブユニット構造変形の理論的解析"

2008/07/30 The 6th., Lab Seminar
Norio Takenaka
"Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method"

2008/07/03 The 5th., Lab Seminar
Yusuke Ohta
"Thermal Conductivity of Metal-Organic Framework 5 (MOF-5): Part I. Molecular Dynamics Simulations"

2008/06/19 The 4th., Lab Seminar
Takayanagi Masayoshi
"Toward Quantitative Simulations of Carbon Monoxide Escape Pathways in Myoglobin"

2008/05/29 The 3rd., Lab Seminar
Yoshiyuki Koyano
"Accelerating QM/MM Free Energy Calculations: Representing the Surroundings by an Updated Mean Charge Distribution"

2008/05/08 The 2nd., Lab Seminar
Isseki Yu
"Extracting Hydration Sites around Proteins from Explicit Water Simulations"

2008/04/24 The 1st., Lab Seminar
Takuya Okamoto
"A MAP Estimator for Simultaneous Superresolution and Detector Nonunifomity Correction"