Recent Advances of the Fragment Molecular Orbital Method
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Published By Springer Singapore

9789811592348, 9789811592355

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How to Perform FMO Calculation in Drug Discovery

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_7 ◽

2021 ◽

pp. 93-125

Author(s):

Kaori Fukuzawa ◽

Chiduru Watanabe ◽

Yoshio Okiyama ◽

Tatsuya Nakano

Keyword(s):

Drug Discovery

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FMO-Based Investigations of Excited-State Dynamics in Molecular Aggregates

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_27 ◽

2021 ◽

pp. 547-566

Author(s):

Takatoshi Fujita ◽

Takeo Hoshi

Keyword(s):

Excited State ◽

Molecular Aggregates ◽

Excited State Dynamics

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Elucidating the Efficacy of Clinical Drugs Using FMO

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_16 ◽

2021 ◽

pp. 323-339

Author(s):

Sundaram Arulmozhiraja ◽

Hiroaki Tokiwa ◽

Hitoshi Shimano

Keyword(s):

Clinical Drugs

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Pharmaceutical Industry—Academia Cooperation

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_15 ◽

2021 ◽

pp. 307-322

Author(s):

Alexander Heifetz ◽

Peter V. Coveney ◽

Dmitri G. Fedorov ◽

Inaki Morao ◽

Tim James ◽

...

Keyword(s):

Pharmaceutical Industry

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Recent Development of the Fragment Molecular Orbital Method in GAMESS

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_3 ◽

2021 ◽

pp. 31-51

Author(s):

Dmitri G. Fedorov

Keyword(s):

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fragment Molecular Orbital

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Extension to Multiscale Simulations

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_26 ◽

2021 ◽

pp. 529-546

Author(s):

Koji Okuwaki ◽

Taku Ozawa ◽

Yuji Mochizuki

Keyword(s):

Multiscale Simulations

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Development of the Analytic Second Derivatives for the Fragment Molecular Orbital Method

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_22 ◽

2021 ◽

pp. 425-458

Author(s):

Hiroya Nakata ◽

Dmitri G. Fedorov

Keyword(s):

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fragment Molecular Orbital ◽

Second Derivatives

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Comparison of Various Fragmentation Methods for Quantum Chemical Calculations of Large Molecular Systems

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_2 ◽

2021 ◽

pp. 15-27

Author(s):

Shigenori Tanaka

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Molecular Systems

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Recent Advances of In Silico Drug Discovery: Integrated Systems of Informatics and Simulation

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_14 ◽

2021 ◽

pp. 295-306

Author(s):

Teruki Honma

Keyword(s):

Drug Discovery ◽

In Silico ◽

Integrated Systems ◽

Recent Advances

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Drug Discovery Screening by Combination of X-ray Crystal Structure Analysis and FMO Calculation

Recent Advances of the Fragment Molecular Orbital Method ◽

10.1007/978-981-15-9235-5_11 ◽

2021 ◽

pp. 253-265

Author(s):

Midori Takimoto-Kamimura ◽

Noriyuki Kurita

Keyword(s):

Crystal Structure ◽

Drug Discovery ◽

Structure Analysis ◽

Crystal Structure Analysis ◽

X Ray

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Recent Advances of the Fragment Molecular Orbital MethodLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Singapore

How to Perform FMO Calculation in Drug Discovery

FMO-Based Investigations of Excited-State Dynamics in Molecular Aggregates

Elucidating the Efficacy of Clinical Drugs Using FMO

Pharmaceutical Industry—Academia Cooperation

Recent Development of the Fragment Molecular Orbital Method in GAMESS

Extension to Multiscale Simulations

Development of the Analytic Second Derivatives for the Fragment Molecular Orbital Method

Comparison of Various Fragmentation Methods for Quantum Chemical Calculations of Large Molecular Systems

Recent Advances of In Silico Drug Discovery: Integrated Systems of Informatics and Simulation

Drug Discovery Screening by Combination of X-ray Crystal Structure Analysis and FMO Calculation

Recent Advances of the Fragment Molecular Orbital Method
Latest Publications