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The Fragment Molecular Orbital Method
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TOTAL DOCUMENTS
26
(FIVE YEARS 0)
H-INDEX
3
(FIVE YEARS 0)
Published By CRC Press
9781420078480, 9781420078497
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Latest Documents
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Modeling a Protein Environment in an Enzymatic Catalysis
The Fragment Molecular Orbital Method
◽
10.1201/9781420078497.ch11
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2009
◽
pp. 245-268
Author(s):
Toyokazu Ishida
Keyword(s):
Enzymatic Catalysis
◽
Protein Environment
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Introduction
The Fragment Molecular Orbital Method
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10.1201/9781420078497.ch1
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2009
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pp. 1-3
◽
Cited By ~ 18
Author(s):
Dmitri Fedorov
◽
Kazuo Kitaura
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The Fragment Molecular Orbital–Based Time- Dependent Density Functional Theory for Excited States in Large Systems
The Fragment Molecular Orbital Method
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10.1201/9781420078497.ch5
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2009
◽
pp. 91-118
Author(s):
Kazuo Kitaura
◽
Dmitri Fedorov
◽
Mahito Chiba
Keyword(s):
Density Functional Theory
◽
Molecular Orbital
◽
Excited States
◽
Density Functional
◽
Time Dependent
◽
Functional Theory
◽
Fragment Molecular Orbital
◽
Large Systems
◽
Dependent Density
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Detailed Electronic Structure Studies Revealing the Nature of Protein–Ligand Binding
The Fragment Molecular Orbital Method
◽
10.1201/9781420078497.ch8
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2009
◽
pp. 171-192
Author(s):
Kazuo Kitaura
◽
Dmitri Fedorov
◽
Isao Nakanishi
Keyword(s):
Electronic Structure
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Fmo-Md
The Fragment Molecular Orbital Method
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10.1201/9781420078497.ch6
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2009
◽
pp. 119-131
Author(s):
Yuto Komeiji
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Developments of FMO Methodology and Graphical User Interface in ABINIT-MP
The Fragment Molecular Orbital Method
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10.1201/9781420078497.ch3
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2009
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pp. 37-62
Author(s):
Shinji Amari
◽
Takeshi Ishikawa
◽
Akifumi Kato
◽
Yuji Mochizuki
◽
Kaori Fukuzawa
◽
...
Keyword(s):
User Interface
◽
Graphical User Interface
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Theoretical Background of the Fragment Molecular Orbital (FMO) Method and Its Implementation in GAMESS
The Fragment Molecular Orbital Method
◽
10.1201/9781420078497.ch2
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2009
◽
pp. 5-36
Author(s):
Kazuo Kitaura
◽
Dmitri Fedorov
Keyword(s):
Molecular Orbital
◽
Theoretical Background
◽
Fragment Molecular Orbital
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Application of the FMO Method to Specific Molecular Recognition of Biomacromolecules
The Fragment Molecular Orbital Method
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10.1201/9781420078497.ch7
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2009
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pp. 133-169
Author(s):
Yuji Mochizuki
◽
Tatsuya Nakano
◽
Kaori Fukuzawa
◽
Shigenori Tanaka
Keyword(s):
Molecular Recognition
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FMO as a Tool for Structure-Based Drug Design
The Fragment Molecular Orbital Method
◽
10.1201/9781420078497.ch10
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2009
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pp. 217-244
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Cited By ~ 1
Author(s):
Kosuke Okazaki
◽
Tomonaga Ozawa
◽
Motohiro Nishio
Keyword(s):
Drug Design
◽
Structure Based Drug Design
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How Does the FMO Method Help in Studying Viruses and Their Binding to Receptors?
The Fragment Molecular Orbital Method
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10.1201/9781420078497.ch9
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2009
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pp. 193-215
Author(s):
Tomohiro Hashimoto
◽
Yasuo Suzuki
◽
Makoto Kiso
◽
Hiroaki Tokiwa
◽
Hideharu Ishida
◽
...
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