1P260 Fragment molecular orbital calculation of the absorption maxima of bacteriorhodopsin and pharaonis phoborhodopsin(Photobiology:Vision & Photoreception,The 48th Annual Meeting of the Biophysical Society of Japan)

1P130 Prediction of IR spectra by normal mode analysis based on the Fragment Molecular Orbital (FMO) method(06.Electronic state,Poster,The 51st Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.53.s127_3 ◽

2013 ◽

Vol 53 (supplement1-2) ◽

pp. S127

Author(s):

Hiroya Nakata ◽

Dmitri Fedorov ◽

Satoshi Yokojima ◽

Kazuo Kitaura ◽

Shinichiro Nakamura

Keyword(s):

Ir Spectra ◽

Annual Meeting ◽

Electronic State ◽

Molecular Orbital ◽

Normal Mode ◽

Normal Mode Analysis ◽

Mode Analysis ◽

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 ◽

2P140 Protein-Inhibitor Binding Enthalpy Calculation with ab initio Fragment Molecular Orbital Method(The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s107_1 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S107

Author(s):

Hiroh Miyagawa ◽

Mayumi Endo

Keyword(s):

Ab Initio ◽

Annual Meeting ◽

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Protein Inhibitor ◽

Inhibitor Binding ◽

Biophysical Society ◽

Binding Enthalpy

2E1558 Protein specific partial charges by Ab-initio fragment molecular orbital method for more accurate protein simulations(Proteins:Property II,Oral Presentation,The 50th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.52.s47_2 ◽

2012 ◽

Vol 52 (supplement) ◽

pp. S47

Author(s):

Le Chang ◽

Shoji Takada

Keyword(s):

Ab Initio ◽

Annual Meeting ◽

Molecular Orbital ◽

Oral Presentation ◽

Orbital Method ◽

Molecular Orbital Method ◽

Partial Charges ◽

2SH1500 Fragment molecular orbital method and number theory(2SH Prime Number and Life-New Paradigm for the 21st Century-,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s17_3 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S17

Author(s):

Takeshi Ishikawa

Keyword(s):

Number Theory ◽

Prime Number ◽

Annual Meeting ◽

Molecular Orbital ◽

21St Century ◽

Orbital Method ◽

Molecular Orbital Method ◽

New Paradigm ◽

3G1434 Comparison of Antigen-Antibody Binding by the Fragment Molecular Orbital Calculations for Swine-Origin Influenza Hemagglutinin Proteins(3G Protein: Structure 4,The 49th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s131_5 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S131

Author(s):

Akio Yoshioka ◽

Shigenori Tanaka

Keyword(s):

Protein Structure ◽

Annual Meeting ◽

Molecular Orbital ◽

Antibody Binding ◽

Molecular Orbital Calculations ◽

Influenza Hemagglutinin ◽

Biophysical Society ◽

Antigen Antibody

Intermolecular interaction among Remdesivir, RNA and RNA-dependent RNA polymerase of SARS-CoV-2 analyzed by fragment molecular orbital calculation

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2020.107695 ◽

2020 ◽

Vol 100 ◽

pp. 107695

Author(s):

Koichiro Kato ◽

Teruki Honma ◽

Kaori Fukuzawa

Keyword(s):

Rna Polymerase ◽

Intermolecular Interaction ◽

Molecular Orbital ◽

Rna Dependent Rna Polymerase ◽

Fragment Molecular Orbital

High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.0c00273 ◽

2020 ◽

Vol 60 (7) ◽

pp. 3361-3368

Author(s):

Koichiro Kato ◽

Tomohide Masuda ◽

Chiduru Watanabe ◽

Naoki Miyagawa ◽

Hideo Mizouchi ◽

...

Keyword(s):

Machine Learning ◽

Molecular Orbital ◽

High Precision ◽

Atomic Charge ◽

Fragment Molecular Orbital

2P161 Molecular Orbital Analysis to investigate the Reaction Mechanism of ATP Hydrolysis in Myosin Motor Domain(The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s110_5 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S110-S111

Author(s):

Hiroshi Kagawa ◽

Hiroto Kikuchi ◽

Hiroshi Fujisaki ◽

Yoshinori Nagai ◽

Hiroshi Wako

Keyword(s):

Reaction Mechanism ◽

Annual Meeting ◽

Molecular Orbital ◽

Atp Hydrolysis ◽

Motor Domain ◽

Myosin Motor ◽

Myosin Motor Domain ◽

Biophysical Society ◽

Molecular Orbital Analysis ◽

Orbital Analysis

Combining self-organizing maps and hierarchical clustering for protein–ligand interaction analysis in post-fragment molecular orbital calculation

Chem-Bio Informatics Journal ◽

10.1273/cbij.21.1 ◽

2021 ◽

Vol 21 (0) ◽

pp. 1-10

Author(s):

Yusuke Kawashima ◽

Natsumi Mori ◽

Norihito Kawashita ◽

Yu-Shi Tian ◽

Tatsuya Takagi

Keyword(s):

Molecular Orbital ◽

Hierarchical Clustering ◽

Interaction Analysis ◽

Self Organizing Maps ◽

Ligand Interaction ◽

Protein Ligand Interaction ◽

Self Organizing