AIDA Misako 相田美砂子

Researcher Number	90175159
Other IDs
Affiliation (based on the past Project Information) *help	2016 – 2017: 広島大学, 理学研究科, 教授 2012 – 2015: 広島大学, 理学(系)研究科(研究院), 教授 2004 – 2009: 広島大学, 大学院・理学研究科, 教授 2008: Hiroshima University, 大学院理学研究科, 教授 2006: Hiroshima University, Graduate School of Science, Professor, 大学院理学研究科, 教授 … More 2000 – 2001: 広島大学, 大学院・理学研究科, 教授 1998 – 2000: 広島大学, 理学部, 教授 1997: 国立がんセンター, 研究所・生物物理部, 研究員 1997: 国立がんセンター研究所, 研究員 1995 – 1996: 国立がんセンター研究所, 生物物理部, 研究員 1994: 国立がんセンター, 生物物理学, 研究員 1992 – 1993: 国立がんセンター研究所, 生物物理部, 研究員 Less
Review Section/Research Field	Principal Investigator Science and Engineering / Science and Engineering / Physical chemistry / Physical chemistry Except Principal Investigator Bioorganic chemistry / Chemistry related to living body / Biophysics / Science education
Keywords	Principal Investigator 非経験的分子軌道法 / 水素結合 / 分子動力学 / 蛋白質 / 核酸 / 量子化学 / 分子動力学法 / QM / 生体高分子 / モンテカルロ法 … More / 核酸塩基 / 水和 / 特異的認識反応 / nucleic acid bases / MM法 / ab initio MO method / 生理活性 / 水クラスター / チミン / チミンダイマー / ペプチド / コンピューター・シミュレーション / MM hybrid method / ab initio molecular orbital method / low temperature argon matrix / inner-shell ionization / soft X-ray radiation / amino-imino tautomers / keto-enol tautomers / 光反応 / ラジカル / アミノ基 / DNA塩基 / 赤外分光法 / 低温マトリックス単離 / 内殻イオン化 / 軟X線 / amino-imino互変異性 / keto-enol互変異性 / specific interaction / hydrogen bonding interaction / hydration energy / MM method / OM / ab initio MD method / 溶液内反応 / 特異的相互作用 / MM-vib法 / 加水分解反応 / 水和エネルギー / 水和エネルギ / ab initio MD法 / radical cation / pyrimidine dimer / pyrimidine / biotogical molecutes / DNA / molecular dynamics method / density functional method / ラジカルアニオン / ラジカルカチオン / ピリミジンダイマー / ピリミジン / 密度汎関数法 / 分子軌道法 / 溶媒効果 / ONIOM / MM / シミュレーション / MC / MD / ab initio MO / パッカリング / 基準振動解析 / 結晶構造 / 糖 … More Except Principal Investigator REDOR / データベース / 転写因子 / ターゲット予測 / 生理活性 / 有機化学 / 分子認識 / pradimicin / 糖鎖 / 抗生物質 / structure analysis / vacuum-ultraviolet / circular dichroism / biomolecules / synchrotron / 生体物質 / 構造解析 / 生体分子 / 真空紫外円二色性 / 放射光 / Molecular packing / Isotope labeling / Membrane bound biomolecule / Molecular dynamics / Three-dimensional structure / Dipolar interaction / Interatomic distance / 固体高分解能MNR / 結晶多形 / 分子運動 / スピン-スピン緩和時間 / 回転エコー二重共鳴 / 二面体角 / リン脂質 / コンフォメーションマップ / 化学シフト値 / エンケファリン / 回転エコー二重共鳴法 / 原子間距離測定 / 分子配列 / 同位体標識 / 膜結合生体分子 / 分子動力学 / 三次元構造 / 双極子相互作用 / 原子間距離 / SBDD / 計算機実習 / 教材開発 / 計算創薬 / ゲノム解析 Less

Development of drug leads targeting fungal glycans
- Principal Investigator
  
  Nakagawa Yu
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Bioorganic chemistry
- Research Institution
  Nagoya University
生理活性分子の特徴抽出と合理的分子設計のための理論化学的研究Principal Investigator
- Principal Investigator
  
  相田美砂子
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Hiroshima University
生理活性分子の分子設計のための理論化学的研究Principal Investigator
- Principal Investigator
  
  相田美砂子
- Project Period (FY)
  2012 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Hiroshima University
QM/MM-MC and QM/MM-MD simulations for reactions in solutionPrincipal Investigator
- Principal Investigator
  
  AIDA Misako
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Hiroshima University
創薬研究を例とした先端的学際的な計算機実習講義と教材の開発
- Principal Investigator
  
  原田隆範
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Science education
- Research Institution
  Hiroshima University
Mechanisms of direct and indirect DNA damages induced by stimuli from environment such as radiation and active oxygenPrincipal Investigator
- Principal Investigator
  
  AIDA Misako
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Hiroshima University
Structural Fluctuation and Function of Proteins Revealed by Compressibility
- Principal Investigator
  
  GEKKO Kunihiko
- Project Period (FY)
  2004 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Chemistry related to living body
- Research Institution
  HIR0SHIMA UNIVERSITY
転写因子のターゲット予測と認識データベース
- Principal Investigator
  
  皿井明倫
- Project Period (FY)
  2000
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Research Institution
  The Institute of Physical and Chemical Research
転写因子のターゲット予測と認識データベース
- Principal Investigator
  
  皿井明倫
- Project Period (FY)
  1999
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Research Institution
  The Institute of Physical and Chemical Research
Theoretical Studies on reactions in biological moleculesPrincipal Investigator
- Principal Investigator
  
  AIDA Misako
- Project Period (FY)
  1999 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Hiroshima University
Theoretical Study on Repair Mechanisms of DNA DamagesPrincipal Investigator
- Principal Investigator
  
  AIDA Misako
- Project Period (FY)
  1997 – 1999
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Hiroshima University
  National Cancer Center Research Institute and Research Center for Innovative Oncology, National Cancer Center Hospital East
Development of systematic approach in determining three-dimensional structure of membrane bound biomolecules based on accurate interatomic distances
- Principal Investigator
  
  NAITO Akira
- Project Period (FY)
  1997 – 1999
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Biophysics
- Research Institution
  Himeji Institute of Technology
核酸塩基の損傷を修復するメカニズムを明らかにするための理論的研究Principal Investigator
- Principal Investigator
  
  相田美砂子
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  National Cancer Center Research Institute and Research Center for Innovative Oncology, National Cancer Center Hospital East
核酸と蛋白質の特異的認識反応に関する量子化学および分子動学による研究Principal Investigator
- Principal Investigator
  
  相田美砂子
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  National Cancer Center Research Institute and Research Center for Innovative Oncology, National Cancer Center Hospital East
核酸と蛋白質の特異的認識反応に関する量子化学および分子動力学による研究Principal Investigator
- Principal Investigator
  
  相田美砂子
- Project Period (FY)
  1994
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  National Cancer Center Research Institute and Research Center for Innovative Oncology, National Cancer Center Hospital East
核酸と蛋白質の特異的認識反応に関する量子化学および分子動力学による研究Principal Investigator
- Principal Investigator
  
  相田美砂子
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  National Cancer Center Research Institute and Research Center for Innovative Oncology, National Cancer Center Hospital East
核酸と蛋白質の特異的認識反応に関する量子化学および分子動力学による研究Principal Investigator
- Principal Investigator
  
  相田美砂子
- Project Period (FY)
  1992
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  National Cancer Center Research Institute and Research Center for Innovative Oncology, National Cancer Center Hospital East

All 2016 2015 2014 2013 2012 2010 2009 2008 2007 2006 2005 Other

All Journal Article Presentation

[Journal Article] Synthesis and biological activities of the amide derivative of aplog-1, a simplified analog of aplysiatoxin with anti-proliferative and cytotoxic activity2015
- Author(s)
  Yusuke Hanaki, Ryo C. Yanagita, Takahiro Sugahara, Misako Aida, Harukuni Tokuda, Nobutaka Suzuki, Kazuhiro Irie
- Journal Title
  
  Biosci. Biotechnol. Biochem.
  
  Volume: 印刷中 Issue: 6 Pages: 888-895
- DOI
  10.1080/09168451.2014.1002452
- NAID
  120005676639
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-23102011, KAKENHI-PUBLICLY-26102733
[Journal Article] Crosslinking reactions of 4-amino-6-oxo-2-vinylpyrimidine with guanine derivatives and structural analysis of the adducts2015
- Author(s)
  S.Kusano, S. Ishiyama,Sik Lok Lam, T. Mashima, M. Katahira, K. Miyamoto, M. Aida, F. Nagatsugi
- Journal Title
  
  Nucl.Acids Res
  
  Volume: 43 Issue: 16 Pages: 7717-7730
- DOI
  10.1093/nar/gkv797
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K14975, KAKENHI-PUBLICLY-15H00813, KAKENHI-PLANNED-15H05838, KAKENHI-PUBLICLY-26102710, KAKENHI-PUBLICLY-26102733, KAKENHI-PROJECT-26840020, KAKENHI-PROJECT-25288073, KAKENHI-PROJECT-25291013
[Journal Article] Reconsidering the activation entropy for anomerization of glucose and mannose in water studied by NMR spectroscopy2015
- Author(s)
  Ami Kosaka, Misako Aida, and Yukiteru Katsumoto
- Journal Title
  
  Journal of Molecular Structure
  
  Volume: 1093 Pages: 195-200
- DOI
  10.1016/j.molstruc.2015.03.038
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410137, KAKENHI-PUBLICLY-26102733
[Journal Article] A Comprehensive Search of Topologically Distinct Local Minimum Structures of Protonated Water Octamer and the Classification of O-H Topological Types2015
- Author(s)
  Dai Akase, Hiroyuki Teramae, Misako Aida
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 618 Pages: 51-56
- DOI
  10.1016/j.cplett.2014.10.071
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-26102733
[Journal Article] Distribution of Topologically Distinct Isomers of Water Clusters and Dipole Moments of Constituent Water Molecules at Finite Atmospheric Temperatures2014
- Author(s)
  Dai Akase, Misako Aida
- Journal Title
  
  Journal of Physical Chemistry A
  
  Volume: 118 Issue: 36 Pages: 7911-7924
- DOI
  10.1021/jp504854f
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-26102733
[Journal Article] A new variant of multicanonical Monte Carlo algorithm with specifying the temperature range and its application to the hydration free energy change of fluorinated methane derivatives2014
- Author(s)
  Hideo Doi, Misako Aida
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 595-596 Pages: 55-60
- DOI
  10.1016/j.cplett.2014.01.044
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24102520
[Journal Article] Influence of Trimethylamine N-oxide (TMAO) on Three-Dimensional Distribution and Alignment of Solvent Molecules in Aqueous Solution2014
- Author(s)
  Hideo Doi, Yudai Watanabe, Misako Aida
- Journal Title
  
  Chemistry Letters
  
  Volume: in press Issue: 6 Pages: 865-867
- DOI
  10.1246/cl.140043
- NAID
  130004868157
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24102520
[Journal Article] Macrodipole Moment of Polypeptides inβ-Sheet and Its Prediction from Dipole Moments of Amino Acid Residues as Building Blocks: Alanine and Glycine in β-Strand2013
- Author(s)
  Shunsuke Mieda, Misako Aida
- Journal Title
  
  Chemistry Letters
  
  Volume: 42 Issue: 5 Pages: 473-475
- DOI
  10.1246/cl.130084
- NAID
  10031167794
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24102520
[Journal Article] Hydration of Adamantane Skeleton: Water Assembling around Amantadine and Halo-substituted Adamantanes2013
- Author(s)
  Hideo Doi, Misako Aida
- Journal Title
  
  Chemistry Letters
  
  Volume: 42 Issue: 3 Pages: 292-294
- DOI
  10.1246/cl.2013.292
- NAID
  10031155784
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24102520
[Journal Article] Helmholtz Energy Change between Neutral and Zwitterionic Forms of Glycine in Aqueous Solution Using Ab Initio Expanded QM/MM-MC with QM Solvent2013
- Author(s)
  Hidenori Miyamoto, Misako Aida
- Journal Title
  
  Chemistry Letters
  
  Volume: 42 Issue: 9 Pages: 1010-1012
- DOI
  10.1246/cl.130412
- NAID
  10031194323
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24102520
[Journal Article] Ab Initio QM/MM-MC Study on Hydrogen Transfer of Glycine Tautomerization in Aqueous Solution: Helmholtz Energy Changes along Water-mediated and Direct Processes2013
- Author(s)
  Hidenori Miyamoto, Misako Aida
- Journal Title
  
  Chemistry Letters
  
  Volume: 42 Issue: 6 Pages: 598-600
- DOI
  10.1246/cl.130126
- NAID
  10031176020
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24102520
[Journal Article] Dipole Moments of Amino Acid Residues, Gly and Ala, in α-Helix: Quantum Chemical Building Blocks for Macrodipole Moment of α-Helical Polypeptide2012
- Author(s)
  Shunsuke Mieda, Misako Aida
- Journal Title
  
  Chemistry Letters
  
  Volume: 41 Issue: 12 Pages: 1579-1580
- DOI
  10.1246/cl.2012.1579
- NAID
  130004426459
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24102520
[Journal Article] Structures of Molecules in Ground and Excited Vibrational States from Quasiclassical Direct ab Initio Molecular Dynamics2010
- Author(s)
  T. Yamada, M. Aida
- Journal Title
  
  J. Phys. Chem. A (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Classification of OH Bonds and Infrared Spectra of the Topology-Distinct Protonated Water Clusters H3_O^+(H_2O)_ (n ≤ 7)2009
- Author(s)
  M. Jieli, M. Aida
- Journal Title
  
  J. Phys. Chem. A 113
  
  Pages: 1586-1594
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] ONIOM Study on the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics2009
- Author(s)
  Y. Sakae, T. Matsubara, M. Aida, H. Kondo, K. Masaki, H. Iefuji
- Journal Title
  
  Bull. Chem. Soc. Jpn 82
  
  Pages: 338-346
- NAID
  10025116578
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Chiral Sum Frequency Spectroscopy of Thin Films of Porphyrin J-Aggregates2009
- Author(s)
  Tetsuhiko Nagahara, Kenji Kisoda, Hiroshi Harima, Misako Aida, Taka-aki Ishibashi
- Journal Title
  
  The Journal of Physical Chemistry B 113
  
  Pages: 5098-5103
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Classification of OH Bonds and Infrared Spectra of the Topology-Distinct Protonated Wate Clusters H_3O^+(H_2O)_n-1 (n_^<7)2009
- Author(s)
  Maihemutijiang Jieli, Misako Aida
- Journal Title
  
  The Journal of Physical Chemistry A 113
  
  Pages: 1586-1594
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Thermally induced double proton transfer in GG and wobble GT base pairs: A possible origin of the mutagenic guanine2008
- Author(s)
  A. Padermshoke, Y. Katsumoto, R. Masaki, M. Aida
- Journal Title
  
  Chem. Phys. Lett 457
  
  Pages: 232-236
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Two-dimensional free-energy surface on the exchange reaction of alkyl chloride/chloride using the QM/MM-MC method2008
- Author(s)
  M. Ohisa, H. Yamataka, M. Dupuis, M. Aida
- Journal Title
  
  Phys. Chem. Chem. Phys 10
  
  Pages: 844-849
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase2008
- Author(s)
  Toshiaki Matsubara, Michel Dupuis, and Misako Aida
- Journal Title
  
  Journal of Computational Chemistry 29
  
  Pages: 458-465
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase2008
- Author(s)
  T. Matsubara, M. Dupuis, M. Aida
- Journal Title
  
  J. Comput. Chem 29
  
  Pages: 458-465
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Two-dimensional free-energy surface on the exchange reaction of alkyl chloride/chloride using the QM/MM-MC method2008
- Author(s)
  Masayuki Ohisa, Hiroshi Yamataka, Michel Dupuis and Misako Aida
- Journal Title
  
  Physical Chemistry Chemical Physics 10
  
  Pages: 844-849
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] A Theoretical Insight into the Interaction of Fatty Acids Involved in Royal Jelly with the Human Estrogen Receptorβ2008
- Author(s)
  T. Matsubara, H. Sugimoto, M. Aida
- Journal Title
  
  Bull. Chem. Soc. Jpn 81
  
  Pages: 1258-1266
- NAID
  10024330884
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Fundamental absorption frequencies and mean structures at vibrational ground state from quasi-classical direct ab initio MD: Triatomic molecule2008
- Author(s)
  T. Yamada, M. Aida
- Journal Title
  
  Chem. Phys. Lett 452
  
  Pages: 315-320
- NAID
  120000876697
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Ab initio ONIOM-Molecular dynamics (MD) study on the deamination reaction by cytidine deaminase2007
- Author(s)
  Toshiaki Matsubara, Michel Dupuis and Misako Aida
- Journal Title
  
  Journal of Physical Chemistry B 111
  
  Pages: 9965-9974
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] The ONIOM molecular dynamics method for biochemical applications: cytidine deaminase2007
- Author(s)
  T. Matsubara, M. Dupuis, M. Aida
- Journal Title
  
  Chem. Phys. Lett 437
  
  Pages: 138-142
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Kinetic Investigations of the Process of Encapsulation of Small Hydrocarbons into a Cavitand-Porphyrin2007
- Author(s)
  J. Nakazawa, Y. Sake, M. Aida, Y Naruta
- Journal Title
  
  J. Org. Chem 72
  
  Pages: 9448-9455
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Ab initio ONIOM-Molecular dynamics (MD) study on the deamination reaction by cytidine deaminase2007
- Author(s)
  T. Matsubara, M. Dupuis, M. Aida
- Journal Title
  
  J. Phys. Chem. B 111
  
  Pages: 9965-9974
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Photochemistry of 2-(methylamino)pyridine in a low-temperature argon matrix: Amino-imino tautomerism and rotational isomerism2007
- Author(s)
  N. Akai, K. Ohno, M. Aida
- Journal Title
  
  J. Photochem. Photobiol. A: Chemistry 187
  
  Pages: 113-118
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Enumeration of Topology-Distinct Structures and Possible Stable Structures of Protonated Water Clusters, H_3O^+(H_2O)_(n≤5)2007
- Author(s)
  M. Jieli, T. Miyake, M. Aida
- Journal Title
  
  Bull. Chem. Soc. Jpn 80
  
  Pages: 2131-2136
- NAID
  10019795012
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] BSSE-corrected Three-body Interaction Energy in the Recognition of GC Base Pair by Asparagine2007
- Author(s)
  T. Yoshida, M. Aida
- Journal Title
  
  Chem. Lett 36
  
  Pages: 124-125
- NAID
  10018663548
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Population of 6-Enol Form is Higher in 8-Oxoguanine than in Guanine2006
- Author(s)
  T. Yoshida, M. Aida
- Journal Title
  
  Chem. Lett 35
  
  Pages: 924-925
- NAID
  10018187900
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Dimerization and Double Proton Transfer-Induced Tautomerism of 4(3H)-Pyrimidinone in Solution Studied by IR Spectroscopy and Quantum Chemical Calculations2006
- Author(s)
  A. Padermshoke, Y. Katsumoto an M. Aida
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 26388-26395
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] H-bond patterns and structure distributions of water octamer (H2O)8 at finite temperatures2006
- Author(s)
  Miyake, M. Aida
- Journal Title
  
  Chem. Phys. Lett 427
  
  Pages: 215-220
- NAID
  120000878067
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Fundamental absorption frequency from quasi-classical direct ab initio molecular dynamics : Diatomic Molecule2005
- Author(s)
  M.Aida
- Journal Title
  
  Chem. Phys. Lett. 401
  
  Pages: 170-174
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16205003
[Journal Article] Fundamental absorption frequency from quasi-classical direct ab initio molecular dynamics : Diatomic Molecule2005
- Author(s)
  Misako Aida
- Journal Title
  
  Chemical Physics Letters 401
  
  Pages: 170-174
- Data Source
  KAKENHI-PROJECT-16205003
[Presentation] プラディミシンAとの結合におけるマンノースの環内酸素原子の寄与2016
- Author(s)
  渡邉泰典，中川　優，都築麗江，菅原貴弘，相田美砂子，五十嵐康弘，伊藤幸成，小鹿　一
- Organizer
  日本農芸化学会2016年度大会
- Place of Presentation
  札幌
- Year and Date
  2016-03-28
- Data Source
  KAKENHI-PROJECT-15H04496
[Presentation] 二価金属ハロゲン化物の水和構造に関する理論化学的研究2015
- Author(s)
  菅原貴弘，相田美砂子
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] プロトン化水クラスターH3O+(H2O)n-1（n=<7）の安定構造とOH伸縮振動のトポロジー的な分類に関する理論化学的研究2015
- Author(s)
  佐々木一繁，赤瀬大，相田美砂子
- Organizer
  2015年日本化学会中国四国支部大会
- Place of Presentation
  岡山
- Year and Date
  2015-11-14
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] QM/MM-MD法を用いたハロゲン化カルシウムの水和構造と水分子に及ぼす影響についての理論化学的研究2015
- Author(s)
  菅原貴弘，相田美砂子
- Organizer
  第38回溶液化学シンポジウム
- Place of Presentation
  高知
- Year and Date
  2015-10-21
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 生理活性分子の水溶液中における構造の理論予測2015
- Author(s)
  相田　美砂子
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-19
- Invited
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 水6量体アニオンクラスターの水素結合ネットワークと垂直電子脱離エネルギー2015
- Author(s)
  赤瀬大，相田美砂子
- Organizer
  第18回理論化学討論会
- Place of Presentation
  豊中
- Year and Date
  2015-05-22
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] Analysis of hydrogen bond energies and hydrogen bonding networks in water clusters using the locally projected molecular orbital perturbation theory2015
- Author(s)
  Dai Akase, Misako Aida, Koichi Ohno, Suehiro Iwata
- Organizer
  The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem2015)
- Place of Presentation
  Honolulu, Hawai, USA
- Year and Date
  2015-12-17
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] Theoretical study on the electronic structure of trimethylamine N-oxide (TMAO) in aqueous solution2015
- Author(s)
  Yudai Watanabe, Dai Akase, Misako Aida
- Organizer
  The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem2015)
- Place of Presentation
  Honolulu, Hawai, USA
- Year and Date
  2015-12-17
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 水溶液中におけるヘキソピラノースの構造に関する研究2015
- Author(s)
  吉川太基，赤瀬大，相田美砂子
- Organizer
  2015年日本化学会中国四国支部大会
- Place of Presentation
  岡山
- Year and Date
  2015-11-14
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] キソピラノースの構造と水和構造に関する理論的研究2015
- Author(s)
  相田美砂子
- Organizer
  新学術領域研究「天然物ケミカルバイオロジー～分子標的と活性制御～」第8回公開シンポジウム
- Place of Presentation
  仙台
- Year and Date
  2015-06-08
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] フグ毒の水溶液中における構造と水和に関する理論化学的研究2015
- Author(s)
  渡部雄大，相田美砂子
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] NMRスペクトルにおける溶媒効果についての理論化学的研究2015
- Author(s)
  細田萌，赤瀬大，相田美砂子
- Organizer
  2015年日本化学会中国四国支部大会
- Place of Presentation
  岡山
- Year and Date
  2015-11-14
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 水クラスターにおける水素結合ネットワークと水分子の振動数2015
- Author(s)
  赤瀬大，相田美砂子
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] B-DNAの塩基対間相互作用における多体効果についての理論化学的研究2015
- Author(s)
  宮本健悟，相田美砂子
- Organizer
  第38回ケモインフォマティクス討論会
- Place of Presentation
  東京
- Year and Date
  2015-10-08
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] Theoretical study on the mutual influence of water and biomolecules2015
- Author(s)
  Misako Aida
- Organizer
  The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem2015)
- Place of Presentation
  Honolulu, Hawai, USA
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 尿素とトリメチルアミンオキシドの水和構造の特徴に関する理論化学的研究2015
- Author(s)
  渡部雄大，相田美砂子
- Organizer
  第38回溶液化学シンポジウム
- Place of Presentation
  高知
- Year and Date
  2015-10-21
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] Intra- and intermolecular interactions of α-, β-, γ-cyclodextrins: from the gas phase to aqueous solution2014
- Author(s)
  Dai Akase, Misako Aida, Sotiris S. Xantheas
- Organizer
  Symposium on Molecular Science and Synthesis of Functional Molecules for Next Generation
- Place of Presentation
  Higashi-Hiroshima
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] Theoretical study on the hydration of divalent ions2014
- Author(s)
  Kentaro Okinaka, Misako Aida
- Organizer
  The 11th Nano Bio Info Chemistry Symposium
- Place of Presentation
  Higashi-Hiroshima, Japan
- Year and Date
  2014-12-13
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 水溶液中におけるグルコピラノースおよびマンノピラノースのアノマー異性化2014
- Author(s)
  小坂有史，出射早希子，勝本之晶，相田美砂子
- Organizer
  日本化学会第94春季年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] A Theoretical study of hydration effects on hexopyranoses2014
- Author(s)
  Sakiko Idei, Misako Aida
- Organizer
  Symposium on Molecular Science and Synthesis of Functional Molecules for Next Generation
- Place of Presentation
  Higashi-Hiroshima
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] A theoretical study of hydration number of TMAO2013
- Author(s)
  Yudai Watanabe, Hideo Doi, Misako Aida
- Organizer
  The 10th Nano Bio Info Chemistry Symposium
- Place of Presentation
  Higashi-Hiroshima
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] Graph representation of protonated water cluster and a comprehensive search of local minimum structures of protonated water octamer2013
- Author(s)
  Dai Akase, Misako Aida, Hiroyuki Tramae
- Organizer
  The 10th Nano Bio Info Chemistry Symposium
- Place of Presentation
  Higashi-Hiroshima
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] アダマンタンとアダマンタン置換体における水和のホルムヘルツエネルギー2013
- Author(s)
  土居英男，相田美砂子
- Organizer
  2013年日本化学会中国四国支部大会
- Place of Presentation
  東広島
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] Helmholtz Energy Change between Neutral and Zwitterionic Forms of Glycine in Aqueous Solution2013
- Author(s)
  Misako Aida, Hidenori Miyamoto
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Nara
- Invited
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] A theoretical study on hydration patterns of bioactive molecules2013
- Author(s)
  Misako AIDA, Sakiko IDEI
- Organizer
  The 1st International Symposium on Chemical Biology of Natural Products: Target ID and Regulation of Bioactivity
- Place of Presentation
  Yokohama
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] 浸透圧調節物質の水和構造に関する理論化学研究2013
- Author(s)
  相田美砂子, 渡部雄大，土居英男
- Organizer
  第4回ケミカルバイオロジー公開シンポジウム
- Place of Presentation
  つくば
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] ヘキソピラノースアノマーの水和による安定化エネルギーについての理論化学的研究2013
- Author(s)
  出射早希子，相田美砂子
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] プロトン化水クラスターのグラフ表示と安定構造の網羅的探索2013
- Author(s)
  赤瀬大，相田美砂子，寺前裕之
- Organizer
  第36回情報化学討論会
- Place of Presentation
  つくば
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] Dipole Moments of Amino Acid Residues in α-Helix2012
- Author(s)
  Shunsuke Mieda, Misako Aida
- Organizer
  The XIVth International Congress of Quantum Chemistry
- Place of Presentation
  Boulder, Colorado (USA)
- Year and Date
  2012-06-25
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] A theoretical study of structures and stabilities of hexopyranose anomers in vacuo and in aqueous solution2012
- Author(s)
  Sakiko Idei, Misako Aida
- Organizer
  The 9th Nano Bio Info Chemistry Symposium
- Place of Presentation
  Hiroshima University, Higashi-Hiroshima Campus
- Year and Date
  2012-12-08
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] αヘリックスにおけるL-とD-アミノ酸残基の双極子モーメントに関する量子化学的研究2012
- Author(s)
  三枝俊亮、相田　美砂子
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東京大学　本郷キャンパス
- Year and Date
  2012-09-18
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] QM/MM study on hydration energy of glucopyranose anomers2012
- Author(s)
  Misako Aida, Sakiko Idei
- Organizer
  The 1st International Symposium on Chemical Biology of Natural Products: Target ID and Regulation of Bioactivity
- Place of Presentation
  Kyoto Century Hotel
- Year and Date
  2012-10-31
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] 気相中および水溶液におけるへキソピラノースアノマーの安定性についての理論化学的研究2012
- Author(s)
  出射早希子、相田　美砂子
- Organizer
  第35回情報化学討論会
- Place of Presentation
  広島大学　東広島キャンパス
- Year and Date
  2012-10-04
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] A theoretical study on TMAO hydration structure2012
- Author(s)
  Yudai Watanabe, Hideo Doi, Misako Aida
- Organizer
  The 9th Nano Bio Info Chemistry Symposium
- Place of Presentation
  Hiroshima University, Higashi-Hiroshima Campus
- Year and Date
  2012-12-08
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] 生理活性分子の分子設計のための理論化学的研究2012
- Author(s)
  相田　美砂子
- Organizer
  新学術領域研究「天然物ケミカルバイオロジー～分子標的と活性制御～」第2回公開シンポジウム
- Place of Presentation
  東京大学弥生講堂
- Year and Date
  2012-06-17
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] オスモライトの水和構造に関する理論化学的研究2012
- Author(s)
  渡部雄大、土居英男、相田美砂子
- Organizer
  2012年日本化学会西日本大会
- Place of Presentation
  佐賀大学　本庄キャンパス
- Year and Date
  2012-11-10
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] 核内受容体リガンド機能を有する天然物化合物についての計算化学からの検討2012
- Author(s)
  杉本廣之、吉田智喜、相田美砂子
- Organizer
  第35回情報化学討論会
- Place of Presentation
  広島大学　東広島キャンパス
- Year and Date
  2012-10-04
- Data Source
  KAKENHI-PUBLICLY-24102520
[Presentation] アミノ酸の水和自由エネルギーについての理論化学的研究2010
- Author(s)
  宮本秀範, 相田美砂子
- Organizer
  日本化学会第90春季年会
- Place of Presentation
  近畿大学、大阪
- Year and Date
  2010-03-26
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 双極子-双極子相互作用に基づく粗視化によるタンパク質のMDシミュレーション2010
- Author(s)
  三枝俊亮, 相田美砂子
- Organizer
  日本化学会第90春季年会
- Place of Presentation
  近畿大学、大阪
- Year and Date
  2010-03-27
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] アミノ酸の水和自由エレルギーについての理論化学的研究2010
- Author(s)
  相田美砂子
- Organizer
  日本化学会第90春季年会
- Place of Presentation
  大阪
- Year and Date
  2010-03-26
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Hydration free energy change and IR spectrum of glycine in aqueous solution2009
- Author(s)
  Hidenori Miyamoto, Misako Aida
- Organizer
  13^<th> International Congress of Quantum Chemistry
- Place of Presentation
  University of Helsinki, Helsinki, Finland
- Year and Date
  2009-06-23
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Observable structures of ground and excited vibrational states from quasi-classical direct ab initio MD : di-and tri-atomic molecules2009
- Author(s)
  Tomonori Yamada, Misako Aida
- Organizer
  13^<th> International Congress of Quantum Chemistry
- Place of Presentation
  University of Helsinki, Helsinki, Finland
- Year and Date
  2009-07-25
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] H-bond pattern of water octamer at finite temperature2009
- Author(s)
  M. Aida
- Organizer
  The 6th Nano Bio Info Chemistry Symposium
- Place of Presentation
  Higashi-Hiroshima, Japan
- Year and Date
  2009-12-13
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] H-bond pattern distribution of water cluster(H20)n, n≦8 in finite temperature2009
- Author(s)
  Dai Akase, Misako Aida
- Organizer
  International Symposium on "Reaction Dynamics of Many-Body Chemical Systems"
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2009-06-22
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Hydration free engery change and IR spectrum of glycine in aqueous solution2009
- Author(s)
  M. Aida
- Organizer
  13th International Congress of Quantum Chemistry
- Place of Presentation
  Helsinki, Finland
- Year and Date
  2009-06-23
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Theoretical study on a water distribution along DNA groove2009
- Author(s)
  Tomoki Yoshida, Misako Aida
- Organizer
  13^<th> International Congress of Quantum Chemistry
- Place of Presentation
  University of Helsinki, Helsinki, Finland
- Year and Date
  2009-06-24
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] QM/MM-MC法によるアミノ酸-水相互作用構造2009
- Author(s)
  宮本秀範, 相田美砂子
- Organizer
  第32回情報化学討論会
- Place of Presentation
  常盤工業会会館(山口県)
- Year and Date
  2009-10-29
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Fundamental frequency from quasi-classical direct ab initio MD : (H_2O)_2 and(H_2O)_2H^+2009
- Author(s)
  Tomonori Yamada, Misako Aida
- Organizer
  The 6^<th> Nano Bio Info Chemistry Simposium
- Place of Presentation
  Hiroshima University, Higashi-Hiroshima, Japan
- Year and Date
  2009-12-12
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 水クラスターの水素結合パターンと双極子モーメント2009
- Author(s)
  赤瀬大, 相田美砂子
- Organizer
  第32回情報化学討論会
- Place of Presentation
  常盤工業会会館(山口県)
- Year and Date
  2009-10-29
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Study of coarse graining for prediction of interaction between protein and DNA2009
- Author(s)
  Shunsuke Mieda, Misako Aida
- Organizer
  日本生物物理学会第47回年会
- Place of Presentation
  徳島県徳島市
- Year and Date
  2009-11-01
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Observable structure of ground and excited vibrational states from quasi-classical direct ab initio MD: di- and tri-atomic molecules2009
- Author(s)
  M. Aida
- Organizer
  13th International Congress of Quantum Chemistry
- Place of Presentation
  Helsinki, Finland
- Year and Date
  2009-06-25
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Solvation Free Energy Change of Glycine in Aqueous Solution2009
- Author(s)
  Hidenori Miyamoto, Misako Aida
- Organizer
  The 6^<th> Nano Bio Info Chemistry Simposium
- Place of Presentation
  Hiroshima University, Higashi-Hiroshima, Japan
- Year and Date
  2009-12-12
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Study of amino acid models for coarse graining of protein2009
- Author(s)
  M. Aida
- Organizer
  International Symposium on Theory of Molecular Structure, Function and Reactivity
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] H-bond pattern of water octamer at finite temperature2009
- Author(s)
  Dai Akase, Misako Aida
- Organizer
  The 6^<th> Nano Bio Info Chemistry Simposium
- Place of Presentation
  Hiroshima University, Higashi-Hiroshima, Japan
- Year and Date
  2009-12-12
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] H-bond pattern di water cluster (H2O)n, n≦8 in finite temperature2009
- Author(s)
  M. Aida
- Organizer
  International Symposium on "Reaction Dynamics of Many-Body Chemical Systems"
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2009-06-22
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] QM/MM-MC Simulation of Reactions in Aqueous Solution2008
- Author(s)
  M. Aida
- Organizer
  The 2nd International Symposium on "Molecular Theory for Real Systems"
- Place of Presentation
  Okazaki, Japan
- Year and Date
  2008-08-06
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 計算化学の視点から・・・物理と生命のかけ橋2008
- Author(s)
  相田美砂子
- Organizer
  第18回インテリジェント・システム・シンポジウム
- Place of Presentation
  広島県情報プラザ
- Year and Date
  2008-10-23
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 量子化学シミュレション2008
- Author(s)
  相田美砂子
- Organizer
  2008日本化学会西日本大会
- Place of Presentation
  長崎
- Year and Date
  2008-11-15
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 量子化学シミュレーション2008
- Author(s)
  相田美砂子
- Organizer
  2008年日本化学会西日本大会
- Place of Presentation
  長崎大学(文教地区キャンパス)
- Year and Date
  2008-11-16
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 水溶液内反応の量子化学シミュレーション2007
- Author(s)
  相田美砂子
- Organizer
  日本化学会第1回関東支部大会
- Place of Presentation
  首都大学東京(南大沢キャンパス)
- Year and Date
  2007-09-27
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 水溶液内反応の量子化学シミュレーション2007
- Author(s)
  相田美砂子
- Organizer
  日本化学会第1回関東支部大会
- Place of Presentation
  東京
- Year and Date
  2007-09-27
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 水溶液内反応の量子化学シミュレーション2007
- Author(s)
  相田美砂子
- Organizer
  日本化学会第1回関東支部大会
- Place of Presentation
  首都大学東京南大沢キャンパス
- Year and Date
  2007-09-27
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] BSSE-corrected many body interaction energy in the recognition site of DNA by protein2007
- Author(s)
  M. Aida
- Organizer
  International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2007-11-15
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Quantum Chemical Simulation on Reactions in Aqueous Solution2007
- Author(s)
  Misako AIDA
- Organizer
  Singapore International Chemistry Conference 5
- Place of Presentation
  シンガポール
- Year and Date
  2007-12-17
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] 水8量体の安定構造と自由エネルギー2006
- Author(s)
  相田美砂子
- Organizer
  氷・水およびクラスレート水和物の物性に関する研究集会
- Place of Presentation
  札幌
- Year and Date
  2006-12-15
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] プロトンの水和構造と水素結合ネットワーク
- Author(s)
  赤瀬大，相田美砂子
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] グルコピラノースとマンノピラノースの水溶液中での構造に関する研究
- Author(s)
  小坂有史，小出来聡子，出射早希子，勝本之晶，相田美砂子
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 酸化された核酸塩基についての理論化学的研究：8-Oxoguanineの場合
- Author(s)
  宮本健悟，相田美砂子
- Organizer
  2014年日本化学会中国四国支部大会
- Place of Presentation
  山口
- Year and Date
  2014-11-08 – 2014-11-09
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] プロトン化水クラスターH3O+(H2O)n-1, n = 8 の水素結合ネットワークトポロジーとOH 伸縮振動の分類
- Author(s)
  赤瀬大，相田美砂子，寺前裕之
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 二価イオンの水和に関する理論化学的研究
- Author(s)
  菅原貴弘，相田美砂子
- Organizer
  第37回情報化学討論会
- Place of Presentation
  豊橋
- Year and Date
  2014-11-27 – 2014-11-28
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] カルシウムイオンとマグネシウムイオンの水和構造と水和エネルギー
- Author(s)
  菅原貴弘，相田美砂子
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] テトロドトキシンの水和構造に関する理論化学的研究
- Author(s)
  渡部雄大，相田美砂子
- Organizer
  2014年日本化学会中国四国支部大会
- Place of Presentation
  山口
- Year and Date
  2014-11-08 – 2014-11-09
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] TMAO(Trimethylamine N-oxide)の水和相互作用に関する理論化学的研究
- Author(s)
  渡部雄大，赤瀬大，相田美砂子
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] 水素結合ネットワークに基づく水クラスターの解析
- Author(s)
  赤瀬大，相田美砂子
- Organizer
  2014年日本化学会中国四国支部大会
- Place of Presentation
  山口
- Year and Date
  2014-11-08 – 2014-11-09
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] グルコースおよびマンノースの水溶液中におけるアノマー異性化
- Author(s)
  小坂有史，小出来聡子，勝本之晶，相田美砂子
- Organizer
  2014年日本化学会中国四国支部大会
- Place of Presentation
  山口
- Year and Date
  2014-11-08 – 2014-11-09
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] ヘキソピラノースのアノマーの安定性に関する理論化学的研究
- Author(s)
  小出来聡子，相田美砂子
- Organizer
  2014年日本化学会中国四国支部大会
- Place of Presentation
  山口
- Year and Date
  2014-11-08 – 2014-11-09
- Data Source
  KAKENHI-PUBLICLY-26102733
[Presentation] A theoretical study on the geometrical characteristics of stereoisomers of hexopyranoses
- Author(s)
  Misako Aida
- Organizer
  The 3rd International Symposium Chemical Biology
- Place of Presentation
  Toyonaka, Japan
- Year and Date
  2014-10-28 – 2014-10-29
- Data Source
  KAKENHI-PUBLICLY-26102733

1. 皿井明倫 (20221286)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. 高井貴子 (60222840)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
3. 中田琴子 (10237290)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
4. 安江虹

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
5. GROMIHA Michael

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
6. MATSUBARA Toshiaki (60239069)

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results
7. NAITO Akira (80172245)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. TUZI Satoru (60227387)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. SAITO Hazime (30100150)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. OHNO Keiichi (50033858)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. OKADA Kazumasa (90294511)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. KATSUMOTO Yukiteru (90351741)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
13. GEKKO Kunihiko (10023467)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. KATAYANAGI Katsuo (20291479)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. OHMAE Eiji (30284152)

# of Collaborated Projects: 1 results

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16. Nakagawa Yu (90452284)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
17. OJIKA Makoto (50152492)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
18. 原田隆範 (30350325)

# of Collaborated Projects: 1 results

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19. 榮慶丈 (20397988)

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# of Collaborated Products: 0 results
20. 合田祥子 (70317824)

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21. 青木百合子 (10211690)

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22. 竹腰清乃理 (10206964)

# of Collaborated Projects: 1 results

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23. FUJITO Teroaki

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
24. 柳田亮

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
25. 入江一浩

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
26. 永次史

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

AIDA Misako 相田 美砂子

Research Projects

Research Products

Co-Researchers

Development of drug leads targeting fungal glycans

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生理活性分子の特徴抽出と合理的分子設計のための理論化学的研究Principal Investigator

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生理活性分子の分子設計のための理論化学的研究Principal Investigator

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QM/MM-MC and QM/MM-MD simulations for reactions in solutionPrincipal Investigator

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創薬研究を例とした先端的学際的な計算機実習講義と教材の開発

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Mechanisms of direct and indirect DNA damages induced by stimuli from environment such as radiation and active oxygenPrincipal Investigator

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Structural Fluctuation and Function of Proteins Revealed by Compressibility

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転写因子のターゲット予測と認識データベース

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転写因子のターゲット予測と認識データベース

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Theoretical Studies on reactions in biological moleculesPrincipal Investigator

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Theoretical Study on Repair Mechanisms of DNA DamagesPrincipal Investigator

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Development of systematic approach in determining three-dimensional structure of membrane bound biomolecules based on accurate interatomic distances

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核酸塩基の損傷を修復するメカニズムを明らかにするための理論的研究Principal Investigator

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AIDA Misako 相田美砂子