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Lab Seminars
+FY 2007
2007/02/21 The 19th., Lab Seminar
Masayoshi Takayanagi
"Parallel replica method for dynamics of infrequent events"
2008/02/14 The 18th., Lab Seminar
Yoshiyuki Koyano
"Comparison of Charge Models for Fixed-Charge Force Fields: Small-Molecule Hydration Free Energies in Explicit Solvent"
2008/01/17 The 17th., Lab Seminar
Isseki Yu
"Hsp70 chaperones accelerate protein translocation and the unfolding of stable protein aggregates by entropic pulling"
2007/12/20 The 16th., Lab Seminar
Takuya Okamoto
"Conformational States and Folding Pathways of Peptides Revealed by Principal-Independent Component Analysis"
2007/12/13 The 15th., Lab Seminar
Chiharu Iwahashi
"Internal cavities and ligand passageways in human hemoglobin characterized by molecular dynamics simulations"
2007/12/06 The 14th., Lab Seminar
Yukinori Nakagawa
"Quantaum Mechanical Simulations of Water and Ammonia Molecules and Their Clusters"
2007/11/01 The 13th., Lab Seminar
Yusuke Ohta
"Analytical RISM-MP2 free energy gradient method:Application to the Schlenk equilibrium of Grignard reagent"
2007/10/22 The 12th., Lab Seminar
Masayashi Takayanagi
"Conformational Dynamics in a Dipeptide After Single-Mode Vibrational Excitation"
2007/10/15 The 11th., Lab Seminar
Yoshiyuki Koyano
"Structural Optimization of Ammonia Ionization Process in Aqueous Solution via Free Energy Gradient Method"
2007/07/23 The 10th., Lab Seminar
Norio Takenaka
"Modeling real dynamics in the coarse-grained representation of condensed phase systems"
2007/07/09 The 9th., Lab Seminar
Isseki Yu
"A coupled RISM/MD or MC simulation methodology for solvation free energies"
2007/07/02 The 8th., Lab Seminar
Takuya Okamoto
"Friction and diffusion of a Brownian particle in a mesoscopic solvent"
2007/06/18 The 7th., Lab Seminar
Chiharu Iwahashi
"A 45-ns Molecular Dynamics Simulation of Hemoglobin in Water by Vectorizing and Parallelizing COSMOS90 on the Earth Simulator: Dynamics of Tertiary and Quaternary Structures"
2007/06/11 The 6th., Lab Seminar
Yukinori Nakagawa
"Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water"
2007/06/04 The 5th., Lab Seminar
Norio Takenaka
"Enthalpy-Entropy and Cavity Decomposition of Alkane Hydration Free energy: Numerical Results and Implications for Theories of Hydrophobic Solvation"
2007/05/28 The 4th., Lab Seminar
Yusuke Ohta
"Metastable Sorption State of a Metal-Organic Porous Material Determined by In Situ Synchrotron Powder Diffraction"
2007/04/23 The 3rd., Lab Seminar
Masayoshi Takayanagi
"Molecular Dynamics Study on the Solvent Dependent Heme Cooling Follwoing Ligand Photolysis in Carbonmonoxy Myoglobin"
2007/04/16 The 2nd., Lab Seminar
2007/04/16 The 2nd., Lab Seminar
"Theoretical pKa estimates for solvated P(OH)5 from coordination constrained Car-Parrinello molecular dynamics"
2007/04/02 The 1st., Lab Seminar
Isseki Yu
"Transitional-Entropy Gain of Solvent upon Protein Folding"
>> FY 2006
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