Lab Seminars

+FY 2011

2012/03/06 The 16th., Lab Seminar

Yuichi Suzuki

Computer simulations of water flux and salt permeability of the reverse osmosis FT-30 aromatic polyamide membrane Yun Luo, Edward Harder, Ron S. Faibish, Benoit Roux, Journal of Membrane Science 384 (2011) 1-9

2012/02/28 The 15th., Lab Seminar

Yukichi KITAMURA

Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization, The Journal of Physical Chemistry B 115 (2011) 249-261.

2012/02/21 The 14th., Lab Seminar

Yusuke Ohta

Aggregation of Alkyllithium in Tetrahydrofuran Pratt, L.M.; Truhlar, D.G.; Cramer, C.J.; Kass, S.R.; Thompson, J.D.; Xidos, J.D., J. Org. Chem., 2007, 72, 2962.

2012/02/07 The 13th., Lab Seminar

Norio Takenaka

Communications: A systematic method for locating transition structures of A + B -> X type reactions

2012/01/17 The 12th., Lab Seminar

Ikuo Kurisaki

"Loop plays a role: ion-selectivity is not enough for remodeling allosteric enzyme."

201112/20 The 11th., Lab Seminar

Masayoshi Takayanagi

"Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin."

2011/12/13 The 10th., Lab Seminar

Yoshiyuki Koyano

"Accelerating chemical reactions: Exploring reactive free energy surfaces using accelerated ab initio molecular dynamics"

2011/11/25 The 9th., Lab Seminar

Takuya Okamoto

"Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances"

2011/08/04 The 8th., Lab Seminar

Yuichi Suzuki

"Molecular Dynamics Simulation of Salt Rejection in Model Surface-Modified Nanopores"

2011/07/07 The 7th., Lab Seminar

Yukichi Kitamura

"Linking folding with aggregation in Alzheimer's beta-amyloid peptides"

2011/06/30 The 6th., Lab Seminar

Yusuke Ohta

"A Theoretical Study on nBuLi/Lithium Aminoalkoxide Aggregation in Hexane and THF"

2011/06/23 The 5th., Lab Seminar

Norio Takenaka

"Exploring the Mechanisms of Reactions in Solution from Transition Path Sampling Molecular Dynamics Simulations Drik Zahn J. Chem. Theor. Comp., 2, 107 (2006)"

2011/06/16 The 4th., Lab Seminar

Ikuo Kurisaki

2011/06/02 The 3rd., Lab Seminar

Masayoshi Takayanagi

"Hemoglobin and Cooperativity: Experiments and Theories"

2011/05/26 The 2nd., Lab Seminar

Yoshiyuki Koyano

"Theoretical Study of the Competition between Intramolecular Hydrogen Bonds and Solvation in the Cys-Asn-Ser Tripeptide"

2011/05/19 The 1st., Lab Seminar

Takuya Okamoto

"Denoising Methods for Thermomechanical Decomposition for Quasi-Equilibrium Molecular Dynamics Simulations"

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