Charge Clamps of Lysines and Hydrogen Bonds Play Key Roles in the Mechanism to Fix Helix 12 in the Agonist and Antagonist Positions of Estrogen Receptor α: Intramolecular Interactions Studied by theAb InitioFragment Molecular Orbital Method

2014 ◽  
Vol 118 (19) ◽  
pp. 4993-5008 ◽  
Author(s):  
Chiduru Watanabe ◽  
Kaori Fukuzawa ◽  
Shigenori Tanaka ◽  
Sachiko Aida-Hyugaji
Keyword(s):  
Estrogen Receptor ◽  
Hydrogen Bonds ◽  
Molecular Orbital ◽  
Estrogen Receptor Α ◽  
Intramolecular Interactions ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Helix 12 ◽  
Agonist And Antagonist

scholarly journals Molecular Interactions between Estrogen Receptor and Its Ligand Studied by the ab Initio Fragment Molecular Orbital Method

2006 ◽  
Vol 110 (47) ◽  
pp. 24276-24276 ◽  
Author(s):  
Kaori Fukuzawa ◽  
Yuji Mochizuki ◽  
Shigenori Tanaka ◽  
Kazuo Kitaura ◽  
Tatsuya Nakano
Keyword(s):  
Estrogen Receptor ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Interactions ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital

scholarly journals Molecular Interactions between Estrogen Receptor and Its Ligand Studied by the ab Initio Fragment Molecular Orbital Method

2006 ◽  
Vol 110 (32) ◽  
pp. 16102-16110 ◽  
Author(s):  
Kaori Fukuzawa ◽  
Yuji Mochizuki ◽  
Shigenori Tanaka ◽  
Kazuo Kitaura ◽  
Tatsuya Nakano
Keyword(s):  
Estrogen Receptor ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Interactions ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital

scholarly journals Analysis of ligand binding specificity of estrogen receptor by the fragment molecular orbital method

2018 ◽  
Vol 17 (3) ◽  
pp. 160-162 ◽  
Author(s):  
Yuya SEKI ◽  
Tsukasa KATO ◽  
Takayuki FURUISHI ◽  
Kaori FUKUZAWA ◽  
Etsuo YONEMOCHI
Keyword(s):  
Estrogen Receptor ◽  
Ligand Binding ◽  
Molecular Orbital ◽  
Binding Specificity ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital

Geometric Isotope Effect of Various Intermolecular and Intramolecular C−H···O Hydrogen Bonds, Using the Multicomponent Molecular Orbital Method

2006 ◽  
Vol 110 (22) ◽  
pp. 7279-7285 ◽  
Author(s):  
Taro Udagawa ◽  
Takayoshi Ishimoto ◽  
Hiroaki Tokiwa ◽  
Masanori Tachikawa ◽  
Umpei Nagashima
Keyword(s):  
Hydrogen Bonds ◽  
Isotope Effect ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method
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