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Teruki Honma
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2020 – today
- 2024
- [j15]Hirotomo Moriwaki
, Yusuke Kawashima
, Chiduru Watanabe
, Kikuko Kamisaka
, Yoshio Okiyama
, Kaori Fukuzawa
, Teruki Honma
:
FMOe: Preprocessing and Visualizing Package of the Fragment Molecular Orbital Method for Molecular Operating Environment and Its Applications in Covalent Ligand and Metalloprotein Analyses. J. Chem. Inf. Model. 64(18): 6927-6937 (2024) - [j14]Koji Okuwaki, Naoki Watanabe, Koichiro Kato
, Chiduru Watanabe
, Naofumi Nakayama
, Akifumi Kato, Yuji Mochizuki
, Tatsuya Nakano
, Teruki Honma
, Kaori Fukuzawa
:
Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites. J. Chem. Inf. Model. 64(24): 9449-9458 (2024) - 2023
- [j13]Yugo Shimizu, Masateru Ohta
, Shoichi Ishida
, Kei Terayama
, Masanori Osawa, Teruki Honma, Kazuyoshi Ikeda:
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data. J. Cheminformatics 15(1): 120 (2023) - 2022
- [j12]Kenichiro Takaba
, Chiduru Watanabe
, Atsushi Tokuhisa
, Yoshinobu Akinaga, Biao Ma
, Ryo Kanada
, Mitsugu Araki
, Yasushi Okuno, Yusuke Kawashima, Hirotomo Moriwaki
, Norihito Kawashita, Teruki Honma
, Kaori Fukuzawa
, Shigenori Tanaka
:
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy. J. Comput. Chem. 43(20): 1362-1371 (2022) - [j11]Tatsuya Yoshizawa
, Shoichi Ishida
, Tomohiro Sato
, Masateru Ohta
, Teruki Honma
, Kei Terayama
:
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search. J. Chem. Inf. Model. 62(22): 5351-5360 (2022) - 2021
- [j10]Daisuke Takaya
, Chiduru Watanabe
, Shunpei Nagase, Kikuko Kamisaka
, Yoshio Okiyama
, Hirotomo Moriwaki
, Hitomi Yuki
, Tomohiro Sato
, Noriyuki Kurita
, Yoichiro Yagi
, Tatsuya Takagi
, Norihito Kawashita
, Kenichiro Takaba
, Tomonaga Ozawa, Midori Takimoto-Kamimura, Shigenori Tanaka
, Kaori Fukuzawa
, Teruki Honma
:
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. J. Chem. Inf. Model. 61(2): 777-794 (2021) - [j9]Kaori Fukuzawa
, Koichiro Kato
, Chiduru Watanabe
, Yusuke Kawashima
, Yuma Handa
, Ami Yamamoto, Kazuki Watanabe
, Tatsuya Ohyama
, Kikuko Kamisaka
, Daisuke Takaya
, Teruki Honma
:
Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins. J. Chem. Inf. Model. 61(9): 4594-4612 (2021) - 2020
- [j8]Ryosuke Kojima
, Shoichi Ishida
, Masateru Ohta
, Hiroaki Iwata
, Teruki Honma, Yasushi Okuno:
kGCN: a graph-based deep learning framework for chemical structures. J. Cheminformatics 12(1): 32 (2020) - [j7]Koichiro Kato
, Tomohide Masuda, Chiduru Watanabe
, Naoki Miyagawa, Hideo Mizouchi, Shumpei Nagase, Kikuko Kamisaka, Kanji Oshima, Satoshi Ono
, Hiroshi Ueda, Atsushi Tokuhisa
, Ryo Kanada, Masateru Ohta
, Mitsunori Ikeguchi
, Yasushi Okuno, Kaori Fukuzawa
, Teruki Honma
:
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning. J. Chem. Inf. Model. 60(7): 3361-3368 (2020)
2010 – 2019
- 2019
- [j6]Shuntaro Chiba
, Yasushi Okuno, Teruki Honma, Mitsunori Ikeguchi:
Force-field parametrization based on radial and energy distribution functions. J. Comput. Chem. 40(29): 2577-2585 (2019) - 2017
- [j5]Tomohiro Sato
, Noriaki Hashimoto, Teruki Honma
:
Bioisostere Identification by Determining the Amino Acid Binding Preferences of Common Chemical Fragments. J. Chem. Inf. Model. 57(12): 2938-2947 (2017) - [j4]Chiduru Watanabe
, Hirofumi Watanabe
, Kaori Fukuzawa
, Lorien J. Parker, Yoshio Okiyama, Hitomi Yuki
, Shigeyuki Yokoyama
, Hirofumi Nakano
, Shigenori Tanaka
, Teruki Honma
:
Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach. J. Chem. Inf. Model. 57(12): 2996-3010 (2017) - 2013
- [j3]Daisuke Takaya
, Tomohiro Sato, Hitomi Yuki
, Shunta Sasaki, Akiko Tanaka, Shigeyuki Yokoyama
, Teruki Honma:
Prediction of Ligand-Induced Structural Polymorphism of Receptor Interaction Sites Using Machine Learning. J. Chem. Inf. Model. 53(3): 704-716 (2013) - 2012
- [j2]Tomohiro Sato, Hitomi Yuki
, Daisuke Takaya
, Shunta Sasaki, Akiko Tanaka, Teruki Honma:
Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known Inhibitors. J. Chem. Inf. Model. 52(4): 1015-1026 (2012) - 2010
- [j1]Tomohiro Sato, Teruki Honma, Shigeyuki Yokoyama
:
Combining Machine Learning and Pharmacophore-Based Interaction Fingerprint for in Silico Screening. J. Chem. Inf. Model. 50(1): 170-185 (2010)
2000 – 2009
- 2008
- [c1]Yojiro Sakiyama, Hitomi Yuki, Teruki Honma:
Prediction of Human Liver Microsomal Stability with Machine Learning. IC-AI 2008: 784-786
Coauthor Index

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