Search Results - "Ozawa, Tomonaga" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method

FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method

by Takaya, Daisuke, Watanabe, Chiduru, Nagase, Shunpei, Kamisaka, Kikuko, Okiyama, Yoshio, Moriwaki, Hirotomo, Yuki, Hitomi, Sato, Tomohiro, Kurita, Noriyuki, Yagi, Yoichiro, Takagi, Tatsuya, Kawashita, Norihito, Takaba, Kenichiro, Ozawa, Tomonaga, Takimoto-Kamimura, Midori, Tanaka, Shigenori, Fukuzawa, Kaori, Honma, Teruki
Published in Journal of chemical information and modeling (22.02.2021)

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Application of the fragment molecular orbital method analysis to fragment-based drug discovery of BET (bromodomain and extra-terminal proteins) inhibitors

Application of the fragment molecular orbital method analysis to fragment-based drug discovery of BET (bromodomain and extra-terminal proteins) inhibitors

by Ozawa, Motoyasu, Ozawa, Tomonaga, Ueda, Kazuyoshi
Published in Journal of molecular graphics & modelling (01.06.2017)

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The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity

The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity

by Furuya, Noritaka, Momose, Takaki, Katsuno, Kenji, Fushimi, Nobuhiko, Muranaka, Hideyuki, Handa, Chiaki, Ozawa, Tomonaga, Kinoshita, Takayoshi
Published in Bioorganic & medicinal chemistry letters (01.03.2017)

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Ab initio studies on the structure of and atomic interactions in cellulose IIII crystals

Ab initio studies on the structure of and atomic interactions in cellulose IIII crystals

by Ishikawa, Tetsuya, Hayakawa, Daichi, Miyamoto, Hitomi, Ozawa, Motoyasu, Ozawa, Tomonaga, Ueda, Kazuyoshi
Published in Carbohydrate research (19.11.2015)

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Synthesis and c-Src inhibitory activity of imidazo[1,5- a]pyrazine derivatives as an agent for treatment of acute ischemic stroke

Synthesis and c-Src inhibitory activity of imidazo[1,5- a]pyrazine derivatives as an agent for treatment of acute ischemic stroke

by Mukaiyama, Harunobu, Nishimura, Toshihiro, Kobayashi, Satoko, Ozawa, Tomonaga, Kamada, Noboru, Komatsu, Yoshimitsu, Kikuchi, Shinji, Oonota, Hideki, Kusama, Hiroshi
Published in Bioorganic & medicinal chemistry (15.01.2007)

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化合物のAmes予測におけるGraph Convolutional Networkの特徴評価

化合物のAmes予測におけるGraph Convolutional Networkの特徴評価

by 半田, 千彰, 小沢, 知永, 福澤, 薫, 米持, 悦生
Published in Journal of Computer Chemistry, Japan (2021)

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CH/π hydrogen bonds determine the selectivity of the Src homology 2 domain to tyrosine phosphotyrosyl peptides: An ab initio fragment molecular orbital study

CH/π hydrogen bonds determine the selectivity of the Src homology 2 domain to tyrosine phosphotyrosyl peptides: An ab initio fragment molecular orbital study

by Ozawa, Tomonaga, Okazaki, Kosuke
Published in Journal of computational chemistry (01.12.2008)

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Importance of CH/π hydrogen bonds in recognition of the core motif in proline-recognition domains: An Ab initio fragment molecular orbital study

Importance of CH/π hydrogen bonds in recognition of the core motif in proline-recognition domains: An Ab initio fragment molecular orbital study

by Ozawa, Tomonaga, Okazaki, Kosuke, Kitaura, Kazuo
Published in Journal of computational chemistry (01.10.2011)

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Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives

Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives

by Handa, Chiaki, Yamazaki, Yuki, Yonekubo, Shigeru, Furuya, Noritaka, Momose, Takaki, Ozawa, Tomonaga, Furuishi, Takayuki, Fukuzawa, Kaori, Yonemochi, Etsuo
Published in The Journal of steroid biochemistry and molecular biology (01.09.2022)

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CH/π hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the β2 adrenergic receptor: An ab initio fragment molecular orbital (FMO) study

CH/π hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the β2 adrenergic receptor: An ab initio fragment molecular orbital (FMO) study

by Ozawa, Tomonaga, Okazaki, Kosuke, Kitaura, Kazuo
Published in Bioorganic & medicinal chemistry (01.09.2011)

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The role of CH/π interactions in the high affinity binding of streptavidin and biotin

The role of CH/π interactions in the high affinity binding of streptavidin and biotin

by Ozawa, Motoyasu, Ozawa, Tomonaga, Nishio, Motohiro, Ueda, Kazuyoshi
Published in Journal of molecular graphics & modelling (01.08.2017)

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Photoaffinity Labeling of the Human A(2A) Adenosine Receptor and Cross-link Position Analysis by Mass Spectrometry

Photoaffinity Labeling of the Human A(2A) Adenosine Receptor and Cross-link Position Analysis by Mass Spectrometry

by Muranaka, Hideyuki, Momose, Takaki, Handa, Chiaki, Ozawa, Tomonaga
Published in ACS medicinal chemistry letters (01.06.2017)

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Photoaffinity Labeling of the Human A2A Adenosine Receptor and Cross-link Position Analysis by Mass Spectrometry

Photoaffinity Labeling of the Human A2A Adenosine Receptor and Cross-link Position Analysis by Mass Spectrometry

by Muranaka, Hideyuki, Momose, Takaki, Handa, Chiaki, Ozawa, Tomonaga
Published in ACS medicinal chemistry letters (08.06.2017)

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An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue

An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue

by Furuya, Noritaka, Momose, Takaki, Katsuno, Kenji, Fushimi, Nobuhiko, Muranaka, Hideyuki, Handa, Chiaki, Sawa, Masaaki, Ozawa, Tomonaga, Kinoshita, Takayoshi
Published in Bioorganic & medicinal chemistry letters (01.01.2020)

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Synthesis and optimization of novel α-phenylglycinamides as selective TRPM8 antagonists

Synthesis and optimization of novel α-phenylglycinamides as selective TRPM8 antagonists

by Kobayashi, Jun-ichi, Hirasawa, Hideaki, Ozawa, Tetsuji, Ozawa, Tomonaga, Takeda, Hiroo, Fujimori, Yoshikazu, Nakanishi, Osamu, Kamada, Noboru, Ikeda, Tetsuya
Published in Bioorganic & medicinal chemistry (15.01.2017)

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Journal Article

Photoaffinity Labeling of the Human A 2A Adenosine Receptor and Cross-link Position Analysis by Mass Spectrometry

Photoaffinity Labeling of the Human A 2A Adenosine Receptor and Cross-link Position Analysis by Mass Spectrometry

by Muranaka, Hideyuki, Momose, Takaki, Handa, Chiaki, Ozawa, Tomonaga
Published in ACS medicinal chemistry letters (08.06.2017)

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Journal Article

CH/[pi] hydrogen bonds determine the selectivity of the Src homology 2 domain to tyrosine phosphotyrosyl peptides: An ab initio fragment molecular orbital study

CH/[pi] hydrogen bonds determine the selectivity of the Src homology 2 domain to tyrosine phosphotyrosyl peptides: An ab initio fragment molecular orbital study

by Ozawa, Tomonaga, Okazaki, Kosuke
Published in Journal of computational chemistry (01.12.2008)

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Journal Article

Importance of CH/[pi] hydrogen bonds in recognition of the core motif in proline-recognition domains: An Ab initio fragment molecular orbital study

Importance of CH/[pi] hydrogen bonds in recognition of the core motif in proline-recognition domains: An Ab initio fragment molecular orbital study

by Ozawa, Tomonaga, Okazaki, Kosuke, Kitaura, Kazuo
Published in Journal of computational chemistry (01.10.2011)

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Journal Article

The importance of CH/π hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase

The importance of CH/π hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase

by Ozawa, Tomonaga, Tsuji, Eiichi, Ozawa, Motoyasu, Handa, Chiaki, Mukaiyama, Harunobu, Nishimura, Toshihiro, Kobayashi, Satoko, Okazaki, Kosuke
Published in Bioorganic & medicinal chemistry (15.12.2008)

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Journal Article

CH/[pi] hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the beta 2 adrenergic receptor: An ab initio fragment molecular orbital (FMO) study

CH/[pi] hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the beta 2 adrenergic receptor: An ab initio fragment molecular orbital (FMO) study

by Ozawa, Tomonaga, Okazaki, Kosuke, Kitaura, Kazuo
Published in Bioorganic & medicinal chemistry (01.09.2011)

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