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

por Kato, Koichiro, Honma, Teruki, Fukuzawa, Kaori
Publicado 2020

Construction of an integrated database for hERG blocking small molecules

por Sato, Tomohiro, Yuki, Hitomi, Ogura, Keiji, Honma, Teruki
Publicado 2018

Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II

por Ogura, Keiji, Sato, Tomohiro, Yuki, Hitomi, Honma, Teruki
Publicado 2019

Force‐field parametrization based on radial and energy distribution functions

por Chiba, Shuntaro, Okuno, Yasushi, Honma, Teruki, Ikeguchi, Mitsunori
Publicado 2019

Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses

por Watanabe, Chiduru, Okiyama, Yoshio, Tanaka, Shigenori, Fukuzawa, Kaori, Honma, Teruki
Publicado 2021

kGCN: a graph-based deep learning framework for chemical structures

por Kojima, Ryosuke, Ishida, Shoichi, Ohta, Masateru, Iwata, Hiroaki, Honma, Teruki, Okuno, Yasushi
Publicado 2020

Identification of correlated inter-residue interactions in protein complex based on the fragment molecular orbital method

por Tanaka, Shigenori, Watanabe, Chiduru, Honma, Teruki, Fukuzawa, Kaori, Ohishi, Kazue, Maruyama, Tadashi
Publicado 2020

Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search

por Yoshizawa, Tatsuya, Ishida, Shoichi, Sato, Tomohiro, Ohta, Masateru, Honma, Teruki, Terayama, Kei
Publicado 2022

Towards good correlation between fragment molecular orbital interaction energies and experimental IC(50) for ligand binding: A case study of p38 MAP kinase

por Sheng, Yinglei, Watanabe, Hirofumi, Maruyama, Keiya, Watanabe, Chiduru, Okiyama, Yoshio, Honma, Teruki, Fukuzawa, Kaori, Tanaka, Shigenori
Publicado 2018

Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase

por Shimizu, Hideaki, Saito, Akatsuki, Mikuni, Junko, Nakayama, Emi E., Koyama, Hiroo, Honma, Teruki, Shirouzu, Mikako, Sekine, Shun-ichi, Shioda, Tatsuo
Publicado 2019

Identification of small-molecule inhibitors against the interaction of RNA-binding protein PSF and its target RNA for cancer treatment

por Takayama, Ken-ichi, Matsuoka, Seiji, Adachi, Shungo, Honma, Teruki, Yoshida, Masahito, Doi, Takayuki, Shin-ya, Kazuo, Yoshida, Minoru, Osada, Hiroyuki, Inoue, Satoshi
Publicado 2023

Crystal structures of the S6K1 kinase domain in complexes with inhibitors

por Niwa, Hideaki, Mikuni, Junko, Sasaki, Shunta, Tomabechi, Yuri, Honda, Keiko, Ikeda, Mariko, Ohsawa, Noboru, Wakiyama, Motoaki, Handa, Noriko, Shirouzu, Mikako, Honma, Teruki, Tanaka, Akiko, Yokoyama, Shigeyuki
Publicado 2014

Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria

por Inaoka, Daniel Ken, Shiba, Tomoo, Sato, Dan, Balogun, Emmanuel Oluwadare, Sasaki, Tsuyoshi, Nagahama, Madoka, Oda, Masatsugu, Matsuoka, Shigeru, Ohmori, Junko, Honma, Teruki, Inoue, Masayuki, Kita, Kiyoshi, Harada, Shigeharu
Publicado 2015

The ubiquinone synthesis pathway is a promising drug target for Chagas disease

por Nara, Takeshi, Nakagawa, Yukari, Tsuganezawa, Keiko, Yuki, Hitomi, Sekimata, Katsuhiko, Koyama, Hiroo, Ogawa, Naoko, Honma, Teruki, Shirouzu, Mikako, Fukami, Takehiro, Matsuo, Yuichi, Inaoka, Daniel Ken, Kita, Kiyoshi, Tanaka, Akiko
Publicado 2021

Alantolactone is a natural product that potently inhibits YAP1/TAZ through promotion of reactive oxygen species accumulation

por Nakatani, Keisuke, Maehama, Tomohiko, Nishio, Miki, Otani, Junji, Yamaguchi, Keiko, Fukumoto, Miki, Hikasa, Hiroki, Hagiwara, Shinji, Nishina, Hiroshi, Mak, Tak Wah, Honma, Teruki, Kondoh, Yasumitsu, Osada, Hiroyuki, Yoshida, Minoru, Suzuki, Akira
Publicado 2021

Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identif...

por Sato, Tomohiro, Sekimata, Katsuhiko, Sakai, Naoki, Watanabe, Hisami, Mishima-Tsumagari, Chiemi, Taguri, Tomonori, Matsumoto, Takehisa, Fujii, Yoshifumi, Handa, Noriko, Tanaka, Akiko, Shirouzu, Mikako, Yokoyama, Shigeyuki, Hashizume, Yoshinobu, Miyazono, Kohei, Koyama, Hiroo, Honma, Teruki
Publicado 2020

Structure–Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2

por Niwa, Hideaki, Watanabe, Chiduru, Sato, Shin, Harada, Toshiyuki, Watanabe, Hisami, Tabusa, Ryo, Fukasawa, Shunsuke, Shiobara, Ayane, Hashimoto, Tomoko, Ohno, Osamu, Nakamura, Kana, Tsuganezawa, Keiko, Tanaka, Akiko, Shirouzu, Mikako, Honma, Teruki, Matsuno, Kenji, Umehara, Takashi
Publicado 2022

Pharmacophore Modeling for Anti-Chagas Drug Design Using the Fragment Molecular Orbital Method

por Yoshino, Ryunosuke, Yasuo, Nobuaki, Inaoka, Daniel Ken, Hagiwara, Yohsuke, Ohno, Kazuki, Orita, Masaya, Inoue, Masayuki, Shiba, Tomoo, Harada, Shigeharu, Honma, Teruki, Balogun, Emmanuel Oluwadare, da Rocha, Josmar Rodrigues, Montanari, Carlos Alberto, Kita, Kiyoshi, Sekijima, Masakazu
Publicado 2015

Structural basis of transcription regulation by CNC family transcription factor, Nrf2

por Sengoku, Toru, Shiina, Masaaki, Suzuki, Kae, Hamada, Keisuke, Sato, Ko, Uchiyama, Akiko, Kobayashi, Shunsuke, Oguni, Asako, Itaya, Hayato, Kasahara, Kota, Moriwaki, Hirotomo, Watanabe, Chiduru, Honma, Teruki, Okada, Chikako, Baba, Shiho, Ohta, Tsutomu, Motohashi, Hozumi, Yamamoto, Masayuki, Ogata, Kazuhiro
Publicado 2022

The Open Form Inducer Approach for Structure-Based Drug Design

por Inaoka, Daniel Ken, Iida, Maiko, Tabuchi, Toshiyuki, Honma, Teruki, Lee, Nayoung, Hashimoto, Satoshi, Matsuoka, Shigeru, Kuranaga, Takefumi, Sato, Kazuhito, Shiba, Tomoo, Sakamoto, Kimitoshi, Balogun, Emmanuel Oluwadare, Suzuki, Shigeo, Nara, Takeshi, da Rocha, Josmar Rodrigues, Montanari, Carlos Alberto, Tanaka, Akiko, Inoue, Masayuki, Kita, Kiyoshi, Harada, Shigeharu
Publicado 2016