scholarly journals Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins

2021 ◽  
Vol 61 (9) ◽  
pp. 4594-4612 ◽  
Author(s):  
Kaori Fukuzawa ◽  
Koichiro Kato ◽  
Chiduru Watanabe ◽  
Yusuke Kawashima ◽  
Yuma Handa ◽  
...  
Keyword(s):  
Interaction Energy ◽  
Molecular Orbital ◽  
Energy Analysis ◽  
Molecular Orbital Calculations ◽  
Fragment Molecular Orbital ◽  
Related Proteins

Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems

2014 ◽  
Vol 16 (22) ◽  
pp. 10310-10344 ◽  
Author(s):  
Shigenori Tanaka ◽  
Yuji Mochizuki ◽  
Yuto Komeiji ◽  
Yoshio Okiyama ◽  
Kaori Fukuzawa
Keyword(s):  
Interaction Energy ◽  
Molecular Orbital ◽  
Energy Analysis ◽  
Orbital Method ◽  
Molecular Orbital Calculations ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital

One can perform the interaction energy analysis of protein–ligand systems in atomic detail on the basis of the fragment molecular orbital method.

Counterpoise-corrected interaction energy analysis based on the fragment molecular orbital scheme

2011 ◽  
Vol 509 (1-3) ◽  
pp. 67-71 ◽  
Author(s):  
Yoshio Okiyama ◽  
Kaori Fukuzawa ◽  
Haruka Yamada ◽  
Yuji Mochizuki ◽  
Tatsuya Nakano ◽  
...  
Keyword(s):  
Interaction Energy ◽  
Molecular Orbital ◽  
Energy Analysis ◽  
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
Sign in / Sign up

Export Citation Format

Share Document