| □ | “Toward Fragment-Based Drug Design Using a New Ligand-Mapping Method Based on Molecular Liquid Theory” |
| Takashi Imai, Fumio Hirata, Yuji Sugita |
| 32nd Intermational Conference on Solution Chemistry, La Grande Motte, France (August 27–September 2, 2011), Poster Session |
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| □ | “Toward Fragment-Based Drug Design Using the 3D-RISM Ligand-Mapping Method” |
| Takashi Imai, Fumio Hirata, Yuji Sugita |
| Korea-Japan Symposium on Statistical Mechanics Approaches to Nano/Bio-Sciences, Seoul, Korea (June 13–15, 2011) |
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“Fragment-Based Drug Design Using the 3D-RISM Ligand-Mapping Method” |
| Takashi Imai |
| International Symposium on Molecular Science of Fluctuations toward Biological Functions: Elemental Processes of Life Phenomena revealed by the RISM/3D-RISM Theory, Okazaki, Japan (March 28, 2011) |
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| □ | “Probing for Water and Ligand on Protein Surfaces with a Three-dimensional Integral Equation Theory of Solvation” |
| Takashi Imai, Andriy Kovalenko, Fumio Hirata |
| 2010 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2010), Honolulu, USA (December 15–20, 2010), PHYS 1548 |
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“Hydration Structures Studied by Frequency Modulation Atomic Force Microscopy and 3D Reference Interaction Site Model theory” |
| Kenjiro Kimura, Takumi Hiasa, Hiroshi Onishi, Takashi Imai, Shinichiro Ido, Noriaki Oyabu, Kei Kobayashi, Hirofumi Yamada |
| 7th International Workshop on Oxide Surfaces (IWOX-VII), Echigo-Yuzawa, Japan (January 11–15, 2010), TueO6 |
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“Experimental and Theoretical Studies on 3D Hydration Structures on Muscovite Mica Surfaces in Aqueous Solution” |
| Noriaki Oyabu, Kenjiro Kimura, Shinichiro Ido, Kazuhiro Suzuki, Kei Kobayashi, Takashi Imai, Hirofumi Yamada |
| 12th International Conference on Non-contact Atomic Force Microscopy (NC-AFM 2009), New Haven, USA (August 10–14, 2009), Tu-1000 |
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“Molecular-Scale Hydration Structures Investigated by Frequency Modulation Atomic Force Microscopy” |
| Kenjiro Kimura, Shinichiro Ido, Noriaki Oyabu, Kei Kobayashi, Takashi Imai, Hirofumi Yamada |
| 2008 Materials Research Society (MRS) Fall Meeting, Boston, USA (December 1–5, 2008), NN9.14 |
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“Molecular Thermodynamics of Trifluoroethanol-Induced Helix Formation: Analyses of the Solvation Structure and Free Energy by the 3D-RISM Theory” |
| Takashi Imai, Andriy Kovalenko, Fumio Hirata, Akinori Kidera |
| The International Conference on Theory and Applications of Computational Chemistry (TACC) 2008, Shanghai, China (September 23–27, 2008), PO-128 |
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“Molecular-Scale Hydration Structures Investigated by Frequency Modulation Atomic Force Microscopy” |
| Kenjiro Kimura, Shinichiro Ido, Noriaki Oyabu, Kei Kobayashi, Takashi Imai, Hirofumi Yamada |
| 11th International Conference on Non-contact Atomic Force Microscopy (NC-AFM 2008), Madrid, Spain (September 16–19, 2008), Th-1200 |
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“Monte Carlo Simulations with Reference Interaction Site Model Theory for Simulating Peptide Molecules in Aqueous Solution” |
| Ayori Mitsutake, Yutaka Maruyama, Takashi Imai, Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata |
| American Physical Society (APS) March Meeting 2008, New Orleans, USA (March 10–14, 2008), U40.00008 |
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“Applications of the 3D-RISM Theory of Molecular Solvation to Protein Aqueous Solution Systems” |
| Takashi Imai |
| International Workshop on Solution Chemistry: from Solvation to Biomolecules (Post-Conference Symposium of the Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan), Kyoto, Japan (November 26, 2007), S8 |
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“Hydration Structure on the Muscovite (001) Surface Probed with the 3D-RISM Theory: Comparison with Frequency-Modulation AFM Measurements” |
| Takashi Imai, Kenjiro Kimura, Hirofumi Yamada |
| Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan, Fukuoka, Japan (November 21–25, 2007), P099 |
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“Binding Sites and Affinities of Carbon Monoxide and Oxygen to Myoglobin Predicted by the 3D-RISM Theory of Molecular Solvation” |
| Ryusuke Hiraoka, Takashi Imai, Andriy Kovalenko, Fumio Hirata |
| Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan, Fukuoka, Japan (November 21–25, 2007), P081 |
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“Highly Parallelized Calculation of Three Dimensional Solvation Structure around Protein” |
| Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki, Takashi Imai |
| The 67th Okazaki Conference “Molecular Science and Chemical Biology of Biomolecular Function”, Okazaki, Japan (November 10–12, 2007), P38 |
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| □ | “Probing for Hydrophobic Molecules in Cavities and Clefts of a Protein by the 3D-RISM Theory” |
| Ryusuke Hiraoka, Takashi Imai, Tomoyoshi Seto, Andriy Kovalenko, Fumio Hirata |
| 5th East Asia Biophysics Symposium & 45th Annual Meeting of the Biophysical Society of Japan, Ginowan, Japan (November 12–16, 2006), 2P415 |
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| □ | “A Theoretical Analysis on the Free Energy Changes Associated with Protein Folding” |
| Takashi Imai, Yuichi Harano, Masahiro Kinoshita, Andriy Kovalenko, Fumio Hirata |
| 5th East Asia Biophysics Symposium & 45th Annual Meeting of the Biophysical Society of Japan, Ginowan, Japan (November 12–16, 2006), 1P093 |
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| □ | “Pressure Reversal Mechanism of General Anesthesia Revealed by the Three-Dimensional Reference Interaction Site Model (3D-RISM) Theory” |
| Tomoyoshi Seto, Takashi Imai, Hideto Isogai, Andriy Kovalenko, Fumio Hirata |
| Biophysical Society 50th Annual Meeting, Salt Lake City, USA (February 18–22, 2006), 2158-Pos |
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| □ | “Solvation Structure and Thermodynamics of Protein Studied by the 3D-RISM Theory” |
| Fumio Hirata, Takashi Imai, Ryusuke Hiraoka, Andriy Kovalenko |
| The 2005 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2005), Honolulu, USA (December 15–20, 2005), PHYS 1395 |
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| □ | “Size Dependence of Hydration Free Energy of Proteins: 3D-RISM Study” |
| Takashi Imai, Andriy Kovalenko, Fumio Hirata |
| The 2005 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2005), Honolulu, USA (December 15–20, 2005), PHYS 458 |
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| □ | “Partial Molar Volume of Protein Studied by Site-Site Kirkwood-Buff and RISM/3D-RISM Theories” |
| Takashi Imai, Andriy Kovalenko, Fumio Hirata* |
| An International Symposium on “Hydration and Thermodynamics of Molecular Recognition”, Tsakhkadzor, Armenia (March 1–5, 2005) |
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| □ | “Pressure Effect on the Helix-Coil Transition of an Ala-Rich Peptide in Aqueous Solution: A FT-IR Spectroscopic Study” |
| Takahiro Takekiyo, Akira Okuno, Takashi Imai, Akio Shimizu, Minoru Kato, Yoshihiro Taniguchi |
| International Symposium on Portable Synchrotron Light Sources and Advanced Applications, Kusatsu, Japan (January 13–14, 2004), Poster Session |
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| □ | “Application of Covariation Analysis in 3D Dtructure Prediction of G-Protein Coupled Receptors” |
| Wataru Nemoto, Takashi Imai, Takeshi Kikuchi, Norihisa Fujita |
| The 13th International Conference on Genome Informatics, Tokyo, Japan (December 16–18, 2002), P040 |
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| □ | “High Pressure Raman Spectroscopic and RISM Theoretical Studies on Conformational Equilibria of Dipeptides in Aqueous Solutions” |
| Takahiro Takekiyo, Takashi Imai, Minoru Kato, Yoshihiro Taniguchi |
| Second International Conference on High Pressure Bioscience and Biotechnology, Dortmund, Germany (September 16–19, 2002), Poster Session |
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| □ | “Partial Molar Volume and Compressibility of Ions in Aqueous Solutions: Hydration Shell Model Analysis with an Integral Equation Theory of Molecular Liquids” |
| Hiroyasu Nomura, Yoshiharu Mukoyama, Takashi Imai, Fumio Hirata |
| Advanced Study Institute on the Physical Chemistry of Liquids: “Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories, Simulations”, Rhodes, Greece (September 7–15, 2002), Poster Session |
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| □ | “Partial Molar Volume and Compressibility Studied by the Kirkwood-Buff Theory Combined with the RISM/3D-RISM Equations” |
| Fumio Hirata, Takashi Imai, Yuichi Harano, Andriy Kovalenko, Masahiro Kinoshita |
| 85th Canadian Society for Chemistry (CSC) Conference and Exhibition, Vancouver, Canada (June 1–5, 2002), 445 |
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| □ | “Volume Changes Associated with the Helix-Coil Transition of Polypeptides: A Theoretical Approach” |
| Takashi Imai, Yuichi Harano, Andriy Kovalenko, Fumio Hirata |
| International Symposium on Structure, Dynamics and Folding of Proteins as Viewed from Pressure Axis, Otsu, Japan (January 25–27, 2001), P2 |
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| □ | “Partial Molar Volume of Biological Molecules Studied by Statistical Mechanics for Molecular Liquids: Improvement with the 3D-RISM theory” |
| Yuichi Harano, Takashi Imai, Andriy Kovalenko, Masahiro Kinoshita, Fumio Hirata |
| International Symposium on Structure, Dynamics and Folding of Proteins as Viewed from Pressure Axis, Otsu, Japan (January 25–27, 2001), P1 |
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| □ | “Theoretical Study for Partial Molar Volume of Amino Acids and Peptides” |
| Takashi Imai, Yuichi Harano, Andriy Kovalenko, Fumio Hirata |
| The 9th Japan-Korea Joint Seminar on Molecular Science: “Photochemical Processes in Gas, Condensed Phases and Bio-system: Interplay between Experiments and Theories”, Okazaki, Japan, (January 10–12, 2001), Poster Session 012 |
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| □ | “Salt Effect on Solubility and Conformational Stability of Peptide in Aqueous Solutions” |
| Takashi Imai, Masahiro Kinoshita, Fumio Hirata |
| 26th International Conference on Solution Chemistry (26ICSC), Fukuoka, Japan (July 26–31, 1999), 2M1P-03 |
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| □ | “Salt Effect on Stability and Solvation Structure of Peptide: An Integral Equation Study” |
| Takashi Imai, Masahiro Kinoshita, Fumio Hirata |
| Keihanna International Workshop: Pressure Effects on Protein Dynamics and Folding, Kyoto, Japan (August 29–31, 1998), Poster Session |
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| □ | “Structure-Volume-Pressure Relationship of Aqueous Solutions” |
| Fumio Hirata, Takashi Imai |
| Keihanna International Workshop: Pressure Effects on Protein Dynamics and Folding, Kyoto, Japan (August 29–31, 1998) |
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