Ab initio fragment molecular orbital calculations on specific interactions between aryl hydrocarbon receptor and dioxin

Satoshi Miyagi; Satoshi Sawamura; Eri Yoshikawa; Kenichi Dedachi; Satoshi Itoh; Mitsuko Ishihara-Sugano; Noriyuki Kurita

doi:10.1002/qua.23212

Ab initio fragment molecular orbital calculations on specific interactions between aryl hydrocarbon receptor and dioxin

International Journal of Quantum Chemistry ◽

10.1002/qua.23212 ◽

2011 ◽

Vol 112 (1) ◽

pp. 289-299 ◽

Cited By ~ 2

Author(s):

Satoshi Miyagi ◽

Satoshi Sawamura ◽

Eri Yoshikawa ◽

Kenichi Dedachi ◽

Satoshi Itoh ◽

...

Keyword(s):

Ab Initio ◽

Aryl Hydrocarbon Receptor ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital ◽

Aryl Hydrocarbon

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Specific interactions between aryl hydrocarbon receptor and dioxin congeners: Ab initio fragment molecular orbital calculations

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2010.06.008 ◽

2010 ◽

Vol 29 (2) ◽

pp. 197-205 ◽

Cited By ~ 10

Author(s):

Eri Yoshikawa ◽

Satoshi Miyagi ◽

Kenichi Dedachi ◽

Mitsuko Ishihara-Sugano ◽

Satoshi Itoh ◽

...

Keyword(s):

Ab Initio ◽

Aryl Hydrocarbon Receptor ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital ◽

Aryl Hydrocarbon

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Specific interactions between amyloid-β peptides in an amyloid-β hexamer with three-fold symmetry: Ab initio fragment molecular orbital calculations in water

Chemical Physics Letters ◽

10.1016/j.cplett.2017.01.041 ◽

2017 ◽

Vol 672 ◽

pp. 13-20 ◽

Cited By ~ 6

Author(s):

Hiromi Ishimura ◽

Shogo Tomioka ◽

Ryushi Kadoya ◽

Kanako Shimamura ◽

Akisumi Okamoto ◽

...

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Amyloid Β ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital

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Specific interactions between 2-trans enoyl-acyl carrier protein reductase and its ligand: Protein-ligand docking and ab initio fragment molecular orbital calculations

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2019.02.011 ◽

2019 ◽

Vol 88 ◽

pp. 299-308

Author(s):

Naruedon Phusi ◽

Riku Sato ◽

Takuya Ezawa ◽

Shogo Tomioka ◽

Chayanin Hanwarinroj ◽

...

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Acyl Carrier Protein ◽

Ligand Docking ◽

Molecular Orbital Calculations ◽

Carrier Protein ◽

Specific Interactions ◽

Fragment Molecular Orbital

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2P029 Ab initio fragment molecular orbital calculations on specific interactions between butylcholinesterase and its inhibitors(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s199_5 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S199

Author(s):

Takeru Murakawa ◽

Tomoya Suzuki ◽

Tareq Khan ◽

Noriyuki Kurita

Keyword(s):

Protein Structure ◽

Structure Function ◽

Ab Initio ◽

Annual Meeting ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital ◽

Biophysical Society

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Specific interactions between zinc metalloproteinase and its inhibitors: Ab initio fragment molecular orbital calculations

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.05.013 ◽

2017 ◽

Vol 75 ◽

pp. 277-286 ◽

Cited By ~ 4

Author(s):

Ayami Ara ◽

Ryushi Kadoya ◽

Hiromi Ishimura ◽

Kanako Shimamura ◽

Ingebrigt Sylte ◽

...

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital

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Ab initio fragment molecular orbital calculations on the specific interactions between amyloid-β peptides in an in vivo amyloid-β fibril

2016 International Conference On Advanced Informatics: Concepts, Theory And Application (ICAICTA) ◽

10.1109/icaicta.2016.7803094 ◽

2016 ◽

Cited By ~ 1

Author(s):

Hiromi Ishimura ◽

Ryushi Kadoya ◽

Kanako Shimamura ◽

Shintarou Ota ◽

Mitsuki Fujimori ◽

...

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Amyloid Β ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital

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Specific interactions between vitamin D receptor and ligand depending on its chirality: ab initio fragment molecular orbital calculations

Chem-Bio Informatics Journal ◽

10.1273/cbij.18.32 ◽

2018 ◽

Vol 18 (0) ◽

pp. 32-43 ◽

Cited By ~ 5

Author(s):

Ryosuke Takeda ◽

Rie Suzuki ◽

Ittetsu Kobayashi ◽

Kentaro Kawai ◽

Atsushi Kittaka ◽

...

Keyword(s):

Vitamin D ◽

Ab Initio ◽

Molecular Orbital ◽

Vitamin D Receptor ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital

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Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations

Biophysical Chemistry ◽

10.1016/j.bpc.2021.106608 ◽

2021 ◽

Vol 275 ◽

pp. 106608

Author(s):

Divya Shaji ◽

Shohei Yamamoto ◽

Ryosuke Saito ◽

Ryo Suzuki ◽

Shunya Nakamura ◽

...

Keyword(s):

Molecular Docking ◽

Severe Acute Respiratory Syndrome ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Fragment Molecular Orbital ◽

Main Protease ◽

Natural Inhibitors

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The effects of amino-acid mutations on specific interactions between urokinase-type plasminogen activator and its receptor: Ab initio molecular orbital calculations

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2011.04.003 ◽

2011 ◽

Vol 29 (8) ◽

pp. 975-984 ◽

Cited By ~ 10

Author(s):

Shingo Tsuji ◽

Tomoyo Kasumi ◽

Keisuke Nagase ◽

Eri Yoshikawa ◽

Hiroshi Kobayashi ◽

...

Keyword(s):

Amino Acid ◽

Ab Initio ◽

Plasminogen Activator ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Type Plasminogen Activator ◽

Urokinase Type Plasminogen Activator ◽

Amino Acid Mutations

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Design of galardine analogs as putative psudolysin inhibitors based on ab initio fragment molecular orbital calculations

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2019.1656672 ◽

2019 ◽

Vol 38 (11) ◽

pp. 3307-3317

Author(s):

Takuya Ezawa ◽

Satoshi Sugiyama ◽

Ayami Ara ◽

Ingebrigt Sylte ◽

Noriyuki Kurita

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Fragment Molecular Orbital

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