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

2018 ◽  
Vol 18 (0) ◽  
pp. 32-43 ◽  
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

Specific interactions between vitamin-D receptor and its ligands: Ab initio molecular orbital calculations in water

2017 ◽  
Vol 171 ◽  
pp. 75-79 ◽  
Author(s):  
Ryosuke Takeda ◽  
Ittetsu Kobayashi ◽  
Kanako Shimamura ◽  
Hiromi Ishimura ◽  
Ryushi Kadoya ◽  
...  
Keyword(s):  
Vitamin D ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Vitamin D Receptor ◽  
Molecular Orbital Calculations ◽  
Specific Interactions

Proposal of potent inhibitors for vitamin-D receptor based on ab initio fragment molecular orbital calculations

2018 ◽  
Vol 80 ◽  
pp. 320-326 ◽  
Author(s):  
Ryosuke Takeda ◽  
Ittetsu Kobayashi ◽  
Rie Suzuki ◽  
Kentaro Kawai ◽  
Atsushi Kittaka ◽  
...  
Keyword(s):  
Vitamin D ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Vitamin D Receptor ◽  
Molecular Orbital Calculations ◽  
Fragment Molecular Orbital

Ligand chirality can affect histidine protonation of vitamin-D receptor: ab initio molecular orbital calculations in water

2019 ◽  
Vol 186 ◽  
pp. 89-95 ◽  
Author(s):  
Yuta Terauchi ◽  
Rie Suzuki ◽  
Ryosuke Takeda ◽  
Ittetsu Kobayashi ◽  
Atsushi Kittaka ◽  
...  
Keyword(s):  
Vitamin D ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Vitamin D Receptor ◽  
Molecular Orbital Calculations
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