Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations

2018 ◽  
Vol 59 (1) ◽  
pp. 25-30 ◽  
Author(s):  
Takaki Tokiwa ◽  
Shogo Nakano ◽  
Yuta Yamamoto ◽  
Takeshi Ishikawa ◽  
Sohei Ito ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Interaction Energies ◽  
Fragment Molecular Orbital

Fragment Molecular Orbital Calculations on Red Fluorescent Proteins (DsRed and mFruits)

2009 ◽  
Vol 113 (4) ◽  
pp. 1153-1161 ◽  
Author(s):  
Naoki Taguchi ◽  
Yuji Mochizuki ◽  
Tatsuya Nakano ◽  
Shinji Amari ◽  
Kaori Fukuzawa ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Fluorescent Proteins ◽  
Molecular Orbital Calculations ◽  
Fragment Molecular Orbital ◽  
Red Fluorescent Proteins

Octahedral point-charge model and its application to fragment molecular orbital calculations of chemical shifts

2014 ◽  
Vol 593 ◽  
pp. 165-173 ◽  
Author(s):  
Qi Gao ◽  
Satoshi Yokojima ◽  
Dmitri G. Fedorov ◽  
Kazuo Kitaura ◽  
Minoru Sakurai ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Point Charge ◽  
Chemical Shifts ◽  
Molecular Orbital Calculations ◽  
Point Charge Model ◽  
Fragment Molecular Orbital ◽  
Charge Model
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