BOERO Mauro BOERO Mauro

… Alternative Names

MAURO Boero マウロボエロ

Less

Researcher Number	40361315
Other IDs
Affiliation (based on the past Project Information) *help	2009: 筑波大, 数理物質科学研究科, 准教授 2007 – 2009: University of Tsukuba, 大学院・数理物質科学研究科, 准教授 2008: Louis Pasteur大学(France), 教授 2007: 筑波大学, 大学数理物質科学研究科, 准教授 2006: University of Tsukuba, Graduate School of Pure and Applied Sciences, Associate Professor, 大学院数理物質科学研究科, 助教授 2004 – 2005: 筑波大学, 大学院・数理物質科学研究科, 助教授
Review Section/Research Field	Principal Investigator Biological Sciences / Mathematical physics/Fundamental condensed matter physics Except Principal Investigator Science and Engineering / Nanomaterials/Nanobioscience / Thin film/Surface and interfacial physical properties
Keywords	Principal Investigator シトクローム酸化酵素 / 立体構造 / 酵素反応 / 触媒反応 / タンパク質 / 分子動力学計算 / 電子構造 / MMハイブリッド計算 / QM / RNA … More / 第一原理分子動力学計算 / ハイブリッド計算 / プロトン移動 / メタダイナミクス / 酸素反応 / アミドプロトン / ペプチドグループ / 電子状態計算 / ヘム / チトクローム酸化酵素 / 第一原理計算 / 理論 / 電子移動 / 量子論 … More Except Principal Investigator 半導体 / 量子効果 / ナノ物性 / 界面 / ナノサイエンス / 理論 / 第一原理計算 / 電子状態 / バイオ物質 / ナノ物質 / 炭素ナノチューブ / 密度汎関数理論 / 計算科学 / 量子論 / computational science / Car-Parrinello molecular dynamics / density functional theory / nano-shape / electron state / quantum theory / bio-material / nano-material / 密度汎関数法 / Car-Parrinello法 / Car-Parrinello分子動力学法 / Car-Parrinello分子動力学 / ナノ形状 / 界面準位 / 絶縁体 / 界面反応 / 金属 / 酸化物 / ナノデバイス / 将来デバイス / MOSトランジスタ / 半導体デバイス / 新材料 / ナノ界面 / ナノ構造 / 量子力学 / タンパク質 / 表面・界面 / ナノ構造体 Less

シトクローム酸化酵素の機能発現機構の量子構造生物学的解析Principal Investigator
- Principal Investigator
  
  BOERO Mauro (MAURO Boero)
- Project Period (FY)
  2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Biological Sciences
- Research Institution
  University of Tsukuba
電子ダイナミクスに基づく生体分子触媒反応のシミュレーションPrincipal Investigator
- Principal Investigator
  
  BOERO Mauro
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Mathematical physics/Fundamental condensed matter physics
- Research Institution
  University of Tsukuba
タンパク質超分子中のプロトン移動機構の電子レベルでの解明Principal Investigator
- Principal Investigator
  
  BOERO Mauro
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Biological Sciences
- Research Institution
  University of Tsukuba
Theoretical Design of Nano-Device and Nano-Interface by First Principles Approach
- Principal Investigator
  
  SHIRAISHI Kenji
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  University of Tsukuba
New development of the theories of nano-interfaces and their application to nano-devices
- Principal Investigator
  
  SHIRAISHI Kenji
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Thin film/Surface and interfacial physical properties
- Research Institution
  University of Tsukuba
チトクローム酸化酵素におけるプロトンポンプ機構の電子レベルでの解明Principal Investigator
- Principal Investigator
  
  BOERO Mauro
- Project Period (FY)
  2005
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Biological Sciences
- Research Institution
  University of Tsukuba
Quantum Design of Shapes and Functions in Nano- and Bio-Materials
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
  University of Tsukuba
Quantum Theory of Shapes and Properties in Nano-and Bio-Materials : Computational Physics Approach
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  University of Tsukuba

All 2009 2008 2007 2006 2005 2004 Other

All Journal Article Presentation Book

[Book] Modelling Molecular Structure and Reactivity in Biological Systems2006
- Author(s)
  M.Boero, M.Tateno
- Publisher
  RCS Publishing, Cape Town
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] A First-Principle Exploration of Heme a and Heme a3 of the Bovine Cytochrome c Oxidase in Reduced and Oxidized Charge Stat2009
- Author(s)
  Boero, M., et.al.
- Journal Title
  
  J. Comp. Theor. Nanosci. (In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20051003
[Journal Article] A First-Principle Exploration of Heme a and Heme a3 of the Bovine Cytochromec Oxidase in Reduced and Oxidized Charge States2009
- Author(s)
  Boero, M., et al.
- Journal Title
  
  J. Comp. Theor. Nanosci. (In press.)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Carbon Alloy Catalysts : Active Sites for Oxygen Reduction Reaction2008
- Author(s)
  T. lkeda, M. Boero, S. Huang, K.Terakura, M.Oshima, and .J Ozaki
- Journal Title
  
  Journal of Physical Chemistry C 112
  
  Pages: 14706-14709
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Possible proton transfer mechanism through peptide groups in the H-pathway of the bovine cytochrome c oxidas2008
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Biochimica et Biophysica Acta-Bioenergetics 1777
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] 第一原理計算が明らかにする生体反応の精巧な仕組み2008
- Author(s)
  舘野賢, Boero Mauro
- Journal Title
  
  生物物理(日本生物物理学会) 48
  
  Pages: 216-220
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20051003
[Journal Article] 第一原理計算が明らかにする生体反応の精巧な仕組み2008
- Author(s)
  舘野賢,Boero Mauro
- Journal Title
  
  生物物理(日本生物物理学会) 48
  
  Pages: 216-220
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Dissociation of of water molecule at three-fold oxygen coordinated V site on the InVO_4 (001) surface2008
- Author(s)
  M. Oshikiri, M. Boero, A. Matsushita and J. Ye
- Journal Title
  
  Applied Surface Science 255
  
  Pages: 679-681
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics2007
- Author(s)
  T. Ikeda, M. Boero and K. Terakura
- Journal Title
  
  J. Chem. Phys. 127
  
  Pages: 74503-74503
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Novel Mechanism for Proton Transfer in Bovine Cytochrome c Oxidase2007
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Journal of Physics: Condensed Matter 19
  
  Pages: 365220-365220
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-Principles Molecular Dynamics Study of Proton Transfer Mechanism in Bovine Cytochrome c Oxidase.2007
- Author(s)
  Kamiya, K., Boero, M., Tateno M., Shiraishi, K., and Oshiyama, A.
- Journal Title
  
  Journal of Physics 19
  
  Pages: 365220-365220
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Possible mechanism of proton transfer through peptide groups in the H-pathway of the Bovine cytochrome c oxidase.2007
- Author(s)
  Kamiya, K.・Boero, M.・Tateno, M.・Shiraishi, K.・Oshiyama, A.
- Journal Title
  
  J. Ame. Chem. Soc. 129
  
  Pages: 9663-9663
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Possible mechanism of proton transfer through peptideg Groups in the H pathway of the Bovine Cytochrome c Oxidase2007
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  J. Ame. Chem. Soc. 129
  
  Pages: 9663-9663
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Excess electron in water at different thermodynamic conditions2007
- Author(s)
  M. Boero
- Journal Title
  
  J. Phys. Chem. A111
  
  Pages: 12248-12248
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First Principles Molecular Dynamics Study of Catalytic Reactions of Biological Macromolecular Systems: Toward Analyses with QM/MM Hybrid Molecular Simulations.2007
- Author(s)
  Boero, M., Park, J. M., Hagiwara, Y., and Tateno, M.
- Journal Title
  
  Journal of Physics 19
  
  Pages: 365217-365217
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Role of Nitrogen Atoms in Reduction of Electron Charge Traps in Hf-based High-k Dielectrics2007
- Author(s)
  N. Umezawa, K. Shiraishi, K. Torii, M. Boero, T. Chikyow, H. Watanabe, K. Yamabe, T. Ohno, K. Yamaba, and Y. Nara
- Journal Title
  
  IEEE Electron Device Letters 28
  
  Pages: 363-365
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First Principles Molecular Dynamics Study of Catalytic Reactions of Biological Macromolecular System: Toward Analyses with QM/MM Hybrid Molecular Simulations.2007
- Author(s)
  Boero, M.・Park, J.m.・Hagiwara, Y.・Tateno, M.
- Journal Title
  
  Journal of Physics 19
  
  Pages: 365217-365217
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Excess electron in water different thermodynamic conditions2007
- Author(s)
  M., Boero
- Journal Title
  
  J. Phys. Chem. A111
  
  Pages: 12248-12248
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Role of Nitrogen Atoms in Reduction of Electron Charge Traps in Hf-based High-k Dielectrics2007
- Author(s)
  N., Umezawa・K., Shiraishi・K., Torii・M., Boero, et. al.
- Journal Title
  
  IEEE Electron Dev. Lett. 28
  
  Pages: 363-363
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] First Principles Molecular Dynamics Study of Catalytic Reactions of Biological Systems: Toward Analyses with QM/MM Hybrid Molecular Simulations2007
- Author(s)
  M. Boero, J. Park, Y. Hagiwara and M. Tateno
- Journal Title
  
  Journal of Physics: Condensed Matter 129
  
  Pages: 365217-365217
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] RNAによる酵素反応の機構…量子力学に基づくシミュレーションが創る「量子構造生物学」への序2007
- Author(s)
  舘野賢, ボエロマウロ
- Journal Title
  
  化学と工業 60-6
  
  Pages: 587-589
- NAID
  10019487683
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Possible Mechanism of Proton Transfer through Peptide Groups in the H-pathway of the Bovine Cytochrome c Oxidase2007
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Journal of the American Chemical Society 129
  
  Pages: 9663-9673
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Possible mechanism of proton transfer through peptide groups in the H-pathway of the Bovine cytochrome c oxidase.2007
- Author(s)
  Kamiya, K., Boero, M., Tateno M., Shiraishi, K., and Oshiyama, A.
- Journal Title
  
  J. Ame. Chem. Soc. 129
  
  Pages: 9663-9663
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Role of nitrogen atoms in reduction of electron charge traps in Hf-based High-k dielectrics2007
- Author(s)
  N. Umezawa, K. Shiraishi, K. Torii, M. Boero, 他6名
- Journal Title
  
  IEEE Electron Device Letters 28
  
  Pages: 363-363
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Excess electron in water at different thermodynamic conditions2007
- Author(s)
  M. Boero
- Journal Title
  
  J. Phys. Chem. A111
  
  Pages: 12248-12248
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Excess electron in water at different thermodynamic conditions2007
- Author(s)
  M. Boero
- Journal Title
  
  Journal of Physical Chemistry A111
  
  Pages: 12248-1226
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics2007
- Author(s)
  T. Ikeda, M. Boero and K. Terakura
- Journal Title
  
  Journal of Chemical Physics 127
  
  Pages: 74503-74503
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] RNAによる酵素反応の機構--量子力学に基づくシミュレーションが創る「量子構造生物学」への序2007
- Author(s)
  舘野, 賢・ボエロ, マウロ
- Journal Title
  
  化学と工業 Jun-60
  
  Pages: 587-589
- NAID
  10019487683
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] First-Principles Molecular Dynamics Study of Proton Transfer Mechanism in Bovine Cytochromec Oxidase.2007
- Author(s)
  Kamiya, K.・Boero, M.・Tateno, M.・Shiraishi, K.・Oshiyama, A.
- Journal Title
  
  Journal of Physics 19
  
  Pages: 365220-365220
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Hydration of Alkali lons from First Principles Molecular Dynamics Revisited2007
- Author(s)
  T.IKeda, M.Boero, K.Terakura
- Journal Title
  
  J. Chem. Phys. 126
  
  Pages: 34501-34501
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Charge Localisation and Hopping in DNA2007
- Author(s)
  M.Boero, F.L.Gervasio, M.Parrinello
- Journal Title
  
  Molecular Simul. 33
  
  Pages: 57-57
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Role of Nitrogen Atoms in Reduction of Electron Charge Traps in Hf-based High-k Dielectrics2007
- Author(s)
  N. Umezawa, K. Shiraishi, K. Torii, M. Boero, et. al.
- Journal Title
  
  IEEE Electron Dev. Lett. 28
  
  Pages: 363-363
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J.Phys.Chem B 110
  
  Pages: 4443-4450
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J. Phys. Chem B 110
  
  Pages: 4443-4450
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Unique Behavior of F-centers in High-k Hf-based Oxides2006
- Author(s)
  N.Umezawa, K.Shiraishi, T.Ohno, M.Boero, H.Watanabe, T.Chikyow, K.Torii, K.Yamabe, K.Yamada, Y.Nara
- Journal Title
  
  Physica B 376-377
  
  Pages: 392-395
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Unique Behavior of F-centers in High-k Hf-based Oxides2006
- Author(s)
  N.Umezawa, K.Shiraishi, T.Ohno, M.Boero, H.Watanabe, T.Chikyow, K.Torii, K.Yamabe, K.Ymada, Y.Nara
- Journal Title
  
  Physica B 376-377
  
  Pages: 392-392
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Water Molecule Adsorption Properties on the BiVO_4 (100) Surface2006
- Author(s)
  M.Oshikiri, M.Boero
- Journal Title
  
  J.Phys.Chem.B 110
  
  Pages: 9188-9188
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-principle Molecular Dynamics Study of Bond Disruption and Formation in SiO_2 upon Irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B 376-377
  
  Pages: 945-945
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Structural, Electronic, and Optical Properties of the Diindenoperylene Molecule from First-Principles Density Functional Theory2006
- Author(s)
  L.M.Ramaniah, M.Boero
- Journal Title
  
  Phys. Rev. A 74
  
  Pages: 42505-42505
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Water Molecule Adsorption Properties on the BiVO_4 (100) Surface2006
- Author(s)
  M.Oshikiri, M.Boero
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 9188-9188
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Water Molecule Adsorption Properties on the BiVO_4(100)Surface2006
- Author(s)
  M.Oshikiri, M.Boero
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 9188-9188
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enol-to-Keto tautomerism of peptide groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 4443-4443
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Unique Behavior of F-centers in High-k Hf-based Oxides2006
- Author(s)
  N.Umezawa, K.Shiraishi, T.Ohno, M.Boero, H.Watanabe, T.Chikyow, K.Torii, K.Yamabe, K.Yamada, Y.Nara
- Journal Title
  
  Physica B 376-377
  
  Pages: 392-392
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Journal of Physical Chemistry B 110
  
  Pages: 4433-4433
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Extensive Studies for Effects of Nitrogen Incorporation into Hf-based High-k Gate Dielectricxs2006
- Author(s)
  N.Umezawa, K.Shiraishi, H.Watanabe, K.Torii, Y.Akasaka, S.Inumiya, M.Boero, A.Uedono, S.Miyazaki, T.Ohno, T., Chikyow, K.Yamabe, Y.Nara, K.Yamada
- Journal Title
  
  ECS Transactions 2(1)
  
  Pages: 63-63
- Data Source
  KAKENHI-PROJECT-18360017
[Journal Article] First-principle Molecular Dynamics Study of Bond Disruption and Formation in SiO_2 upon Irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B 376-377
  
  Pages: 945-950
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Double Proton Coupled Charge Transfer in DNA2006
- Author(s)
  F.L.Gervasio, M.Boero, M.Parrinello
- Journal Title
  
  Angew. Chem. Int. Ed. 45
  
  Pages: 5606-5606
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Enol-to-keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Journal of Physical Chemistry B 110
  
  Pages: 4443-4443
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Hsc70 ATPase : An Insight into Water Dissociation and Joint Catalytic Role of K^+ and Mg^<2+> Metal Cations in the Hyrolysis Reaction2006
- Author(s)
  M.Boero, T.Ikeda, E.Ito, K.Terakura
- Journal Title
  
  J. Am. Chem. Soc. 128
  
  Pages: 16798-16798
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Water Molecule Adsorption Properties on the BiVO_4 (100) Surface2006
- Author(s)
  M.Boero, M.Oshikiri
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 9188-9188
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Enol-to-keto tautomerism of peptide groups2006
- Author(s)
  K. Kamiya, M. Boero, K. Shiraishi and A. Oshiyama
- Journal Title
  
  J. Phys. Chem. B110
  
  Pages: 4443-4443
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-Principle Molecular Dynamics Stuay of Bond Disruption and Formation in SiO_2 upon Irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B 376-377
  
  Pages: 945-945
- Data Source
  KAKENHI-PROJECT-18054004
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 4443-4443
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J.Phys.Chem.B 110
  
  Pages: 4443-4443
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-principle molecular dynamics study of bond disruption and formation in SiO_2 upon irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B (In press)
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-principle Molecular Dynamics Study of Bond Disruption and Formation in SiO2 upon Irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Unique Behavior of F-centers in High-k Hf-based Oxides2006
- Author(s)
  N.Umezawa, K.Shiraishi, T.Ohno, M.Boero, H.Watanabe, T.Chikyow, K.Torii, K.Yamabe, K.Yamada, Y.Nara
- Journal Title
  
  Physica B
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Water Molecule Adsorption Properties on the BiVO_4 (100) Surface2006
- Author(s)
  M.Oshikiri, M.Boero
- Journal Title
  
  J.Phys.Chem.B 110
  
  Pages: 9188-9188
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Appl.Phys.Lett 86
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Charge Localization in DNA Fibers2005
- Author(s)
  F.L.Gervasio, A.Laio, M.Parrinello, M.Boero
- Journal Title
  
  Physical Review Letters 94
  
  Pages: 158103-158103
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Sivestrelli, K.Murakami
- Journal Title
  
  Appl.Phys.Lett 86
  
  Pages: 201910-201910
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Hydrophobic/hydrophilic Interactions of Water with Alkanethiolate Chains from First Principles Calculations2005
- Author(s)
  P.L.Silvestrelli, F.Ancilotto, F.Toigo, C.Sbraccia, T.Ikeda, M.Boero
- Journal Title
  
  Chem.Phys.Chem. 6
  
  Pages: 1889-1889
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J.Chem.Theory and Computation 1
  
  Pages: 925-925
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Appl. Phys. Lett 86
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Double-Metal-Ion/single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J.Chem.Theory and Computation 1
  
  Pages: 925-925
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J. Chem. Theory and Computation 1
  
  Pages: 925-934
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Charge Localization in DNA Fibers2005
- Author(s)
  F.L.Gervasio, A.Laio, M.Parrinello, M.Boero
- Journal Title
  
  Phys. Rev. Lett. 94
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Charge Localization in DNA Fibers2005
- Author(s)
  F.L.Gervasio, A.Laio, M.Parrinello, M.Boero
- Journal Title
  
  Physical Review Letters 94
  
  Pages: 158103-158103
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Applied Physic Letters 86
  
  Pages: 201910-201910
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Charge Localization in DNA Fibers2005
- Author(s)
  F.L.Gervasio, A.Laio, M.Parrinello, M.Boero
- Journal Title
  
  Phys.Rev.Lett. 94
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes : First-Principles Molecular Dynamics Simulations of a Fully Hydrated Model System2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  Journal of Chemical Theory and Computation 1
  
  Pages: 925-925
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Appied Physics Letters 86
  
  Pages: 201910-201910
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Density and Temperature Dependence of Proton Diffusion in Water : a Firs Principles Molecular Dynamics Study2005
- Author(s)
  M.Boero, T.Ikeshoji, K.Terakura
- Journal Title
  
  Chem.Phys.Chem. 6
  
  Pages: 1775-1775
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J.Chem.Theory and Computation 1
  
  Pages: 925-934
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] E'Centers in Silicon Dioxide : First Principles Molecular Dynamics Studies2004
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli
- Journal Title
  
  Mod.Phys.Lett. B18
  
  Pages: 707-707
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] E'Centers in Silicon Dioxide : First Principles Molecular Dynamics Studies2004
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrellip
- Journal Title
  
  Mod.Phys.Lett. B 18
  
  Pages: 707-707
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] E'Centers in Silicon Dioxide : First Principles Molecular Dynamics Studies2004
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli
- Journal Title
  
  Mod. Phys. Lett. B 18
  
  Pages: 707-707
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] 第一原理計算が明らかにする生体反応の精巧な仕組み
- Author(s)
  舘野賢, ボエロマウロ
- Journal Title
  
  生物物理 (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340108
[Journal Article] 第一原理計算が明らかにする生体反応の精巧な仕組み
- Author(s)
  舘野, 賢・ボエロ, マウロ
- Journal Title
  
  生物物理 (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] 蛋白質の立体構造・電子状態・生物機能の間の相関関係の研究2009
- Author(s)
  神谷克政、重田育照、マウロボエロ、白石賢二、押山淳
- Organizer
  第64回日本物理学会年次大会
- Place of Presentation
  立教大学
- Year and Date
  2009-03-28
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Reactive simulations for biochemical processes: the example of cytochrome c oxidase2008
- Author(s)
  ボエロマウロ
- Organizer
  Materials-Biology Interface: A Simulation Approach
- Place of Presentation
  Institute of Physics and Chemistry of Materials(IPCMS), Strasbourg(France)
- Year and Date
  2008-03-07
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] Reactive simulations for bilchemical processes: the example of cytochrome c oxidase2008
- Author(s)
  ボエロマウロ
- Organizer
  Materials-Biology Interface: A Simulation Approach
- Place of Presentation
  Institute of Physics and Chemistry of Materials(IPCMS),Strasbourg(France)
- Year and Date
  2008-03-07
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] Reactive simulations for biochemical processes : the example of cyto- chromec oxidase2008
- Author(s)
  M. Boero
- Organizer
  Materials-Biology Interface : A Simulation Approach, Institute of Physics and Chemistry of Materials (IPCMS)
- Place of Presentation
  Strasbourg
- Year and Date
  2008-03-07
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] ATP Synthase and cytochrome c oxidase : reactive simulations for biochemical processes2007
- Author(s)
  M. Boero
- Organizer
  10^<th> Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  Hiroshima
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Water as a catalyst2007
- Author(s)
  ボエロマウロ
- Organizer
  Spring College on "Water in Physics, Chemistry and Biology"
- Place of Presentation
  International Centre for Theoretical Physics, Trieste(Italy)
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] Water as a catalyst2007
- Author(s)
  ボエロマウロ
- Organizer
  Spring College on "Water in Physics, Chemistry and Biology"
- Place of Presentation
  International Centre for Theoretical Physics,Trieste(Italy)
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] シトクロ-ム酸化酸素の発現機構の理論的解析2007
- Author(s)
  舘野賢・神谷克也・白石賢二・押山淳・ボエロマウロ
- Organizer
  科学研究費補助金特定領域研究「生体超分子構造」公開シンポジウム
- Place of Presentation
  千里ライフサイエンスセンタ,大阪
- Year and Date
  2007-12-18
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] Reactive first principles molecular dynamics2007
- Author(s)
  ボエロマウロ
- Organizer
  Spring College on "Water in Physics, Chemistry and Biology"
- Place of Presentation
  International Centre for Theoretical Physics,Trieste(Italy)
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] 超分子における機能制御機構の量子構造生物学2007
- Author(s)
  舘野賢・神谷克也・白石賢二・押山淳・ボエロマウロ
- Organizer
  科学研究費補助金特定領域研究「生体超分子構造」第三回ワ-クショップ
- Place of Presentation
  ホテルニュ-アカオ,熱海
- Year and Date
  2007-07-11
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] ATP Synthase and Cytochrome c Oxidase: Reactive simulations for biochemical processes2007
- Author(s)
  ボエロマウロ
- Organizer
  10th Asian Workshop on First-Principles Electronic Structure Calculations(ASIAN10)
- Place of Presentation
  Hiroshima University,Hiroshima(Japan)
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] ロイシルtRNA合成酵素の触媒反応機構の計算科学的解析2007
- Author(s)
  萩原陽介, ボエロマウロ, 深井周也, 濡木理, 舘野賢
- Organizer
  科学研究費補助金特定領域研究「生体超分子構造」第三回ワークショップ
- Place of Presentation
  ホテルニューアカオ,熱海
- Year and Date
  2007-07-11
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] Reactive first principles molecular dynamics2007
- Author(s)
  ボエロマウロ
- Organizer
  Spring College on "Water in Physics, Chemistry and Biology"
- Place of Presentation
  International Centre for Theoretical Physics, Trieste(Italy)
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] 超分子における機能制御機構の量子構造生物学2007
- Author(s)
  舘野賢、神谷克也、白石賢二、押山淳、ボエロマウロ
- Organizer
  科学研究費補助金特定領域研究「生体超分子構造」第三回ワークショップ
- Place of Presentation
  ホテルニューアカオ,熱海
- Year and Date
  2007-07-11
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] シトクローム酸化酵素の機能発現機構の理論的解析2007
- Author(s)
  舘野賢、神谷克也、白石賢二、押山淳、ボエロマウロ
- Organizer
  科学研究費補助金特定領域研究「生体超分子構造」公開シンポジウム
- Place of Presentation
  千里ライフサイエンスセンタ,大阪
- Year and Date
  2007-12-18
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] Introduction to molecular dynamics-from classical force fields to first principles2007
- Author(s)
  ボエロマウロ
- Organizer
  Spring College on "Water in Physics, Chemistry and Biology"
- Place of Presentation
  International Centre for Theoretical Physics, Trieste(Italy)
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] Introduction to molecular dynamics-from classical force fields to first principles2007
- Author(s)
  ボエロマウロ
- Organizer
  Spring College on "Water in Physics, Chemistry and Biology"
- Place of Presentation
  International Centre for Theoretical Physics,Trieste(Italy)
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] Computer simulations from silicon to DNA: nanoscience in a virtual laboratory2007
- Author(s)
  ボエロマウロ
- Organizer
  "From Micro to Nanotechnologies" International Workshop
- Place of Presentation
  Italian Cultural Institute, Tokyo(Japan)
- Year and Date
  2007-05-17
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] Computer simulations from silicon to DNA: nanoscience in a virtual laboratory2007
- Author(s)
  ボエロマウロ
- Organizer
  "From Micro to Nanotechnologies" International Workshop
- Place of Presentation
  Italian Cultural Institute,Tokyou(Japan)
- Year and Date
  2007-05-17
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] ATP Synthase and Cytochrome c Oxidase: Reactive simulations for biochemical processes2007
- Author(s)
  ボエロマウロ
- Organizer
  10th Asian Workshop on First-Principles Electronic Structure Calculations(ASIAN10)
- Place of Presentation
  Hiroshima University, Hiroshima(Japan)
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] ロイシルtRNA合成酵素の触媒反応機構の動力学的解析2007
- Author(s)
  萩原陽介, ボエロマウロ, 舘野賢
- Organizer
  第7回蛋白質科学会年会
- Place of Presentation
  仙台国際センタ、仙台
- Year and Date
  2007-05-24
- Data Source
  KAKENHI-PROJECT-19340108
[Presentation] ロイシルtRNA合成酵素の触媒反応機構の計算科学的解析2007
- Author(s)
  萩原陽介・ボエロマウロ・深井周也・濡木理・舘野賢
- Organizer
  科学研究費補助金特定領域研究「生体超分子構造」第三回ワ-クショップ
- Place of Presentation
  ホテルニュ-アカオ,熱海
- Year and Date
  2007-07-11
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] ロイシルtRNA合成酵素の触媒反応機構の動力学的解析2007
- Author(s)
  萩原陽介・ボエロマウロ・舘野賢
- Organizer
  第7回蛋白質科学会年会
- Place of Presentation
  仙台国際センタ、仙台
- Year and Date
  2007-05-24
- Data Source
  KAKENHI-PROJECT-18054004
[Presentation] Hybrid reactive CPMD based QM/MM simulations of biomolecules2006
- Author(s)
  M. Boero
- Organizer
  1^<st> CMM QM/MM Workshop
- Place of Presentation
  Philadelphia (USA)
- Data Source
  KAKENHI-PROJECT-17064002

1. SHIRAISHI Kenji (20334039)

# of Collaborated Projects: 6 results

# of Collaborated Products: 25 results
2. OKADA Susumu (70302388)

# of Collaborated Projects: 6 results

# of Collaborated Products: 0 results
3. OSHIYAMA Atsushi (80143361)

# of Collaborated Projects: 5 results

# of Collaborated Products: 29 results
4. BERBER Savas (90375402)

# of Collaborated Projects: 3 results

# of Collaborated Products: 0 results
5. MASARU Tateno (40291926)

# of Collaborated Projects: 3 results

# of Collaborated Products: 20 results
6. NAKAYAMA Takashi (70189075)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
7. YAMAUCHI Jun (90383984)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
8. IWATA Junichi (70400695)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
9. 重田育照 (80376483)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
10. UCHIDA Kazuyuki (10393810)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. MURAGUCHI Masakazu (90386623)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. NOMURA Shintaro (90271527)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. ENDOH Tetsuo (00271990)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

BOERO Mauro BOERO Mauro

MAURO Boero マウロ ボエロ

Research Projects

Research Products

Co-Researchers

シトクローム酸化酵素の機能発現機構の量子構造生物学的解析Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

電子ダイナミクスに基づく生体分子触媒反応のシミュレーションPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

タンパク質超分子中のプロトン移動機構の電子レベルでの解明Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Theoretical Design of Nano-Device and Nano-Interface by First Principles Approach

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

New development of the theories of nano-interfaces and their application to nano-devices

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

チトクローム酸化酵素におけるプロトンポンプ機構の電子レベルでの解明Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Quantum Design of Shapes and Functions in Nano- and Bio-Materials

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Quantum Theory of Shapes and Properties in Nano-and Bio-Materials : Computational Physics Approach

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Book] Modelling Molecular Structure and Reactivity in Biological Systems2006

Author(s)

Publisher

Data Source

[Journal Article] A First-Principle Exploration of Heme a and Heme a3 of the Bovine Cytochrome c Oxidase in Reduced and Oxidized Charge Stat2009

Author(s)

Journal Title

Data Source

[Journal Article] A First-Principle Exploration of Heme a and Heme a3 of the Bovine Cytochromec Oxidase in Reduced and Oxidized Charge States2009

Author(s)

Journal Title

Data Source

[Journal Article] Carbon Alloy Catalysts : Active Sites for Oxygen Reduction Reaction2008

Author(s)

Journal Title

Data Source

[Journal Article] Possible proton transfer mechanism through peptide groups in the H-pathway of the bovine cytochrome c oxidas2008

Author(s)

Journal Title

Data Source

[Journal Article] 第一原理計算が明らかにする生体反応の精巧な仕組み2008

Author(s)

Journal Title

Data Source

[Journal Article] 第一原理計算が明らかにする生体反応の精巧な仕組み2008

Author(s)

Journal Title

MAURO Boero マウロボエロ