Calculation of absolute binding free energies between the hERG channel and structurally diverse drugs

por Negami, Tatsuki, Araki, Mitsugu, Okuno, Yasushi, Terada, Tohru
Publicado 2019

Machine learning accelerates MD-based binding pose prediction between ligands and proteins

por Terayama, Kei, Iwata, Hiroaki, Araki, Mitsugu, Okuno, Yasushi, Tsuda, Koji
Publicado 2018

Mutual induced-fit mechanism drives binding between intrinsically disordered Bim and cryptic binding site of Bcl-xL

por Bekker, Gert-Jan, Araki, Mitsugu, Oshima, Kanji, Okuno, Yasushi, Kamiya, Narutoshi
Publicado 2023

Hydrophobic interactions at subsite S1′ of human dipeptidyl peptidase IV contribute significantly to the inhibitory effect of tripeptides

por Araki, Mitsugu, Kanegawa, Norimasa, Iwata, Hiroaki, Sagae, Yukari, Ito, Keisuke, Masuda, Katsuyoshi, Okuno, Yasushi
Publicado 2020

Exploring ligand binding pathways on proteins using hypersound-accelerated molecular dynamics

por Araki, Mitsugu, Matsumoto, Shigeyuki, Bekker, Gert-Jan, Isaka, Yuta, Sagae, Yukari, Kamiya, Narutoshi, Okuno, Yasushi
Publicado 2021

Brigatinib combined with anti-EGFR antibody overcomes osimertinib resistance in EGFR-mutated non-small-cell lung cancer

por Uchibori, Ken, Inase, Naohiko, Araki, Mitsugu, Kamada, Mayumi, Sato, Shigeo, Okuno, Yasushi, Fujita, Naoya, Katayama, Ryohei
Publicado 2017

Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method

por Ono, Fumie, Chiba, Shuntaro, Isaka, Yuta, Matsumoto, Shigeyuki, Ma, Biao, Katayama, Ryohei, Araki, Mitsugu, Okuno, Yasushi
Publicado 2020

Integrated approach to functional analysis of an ERBB2 variant of unknown significance detected by a cancer gene panel test

por Harada, Yohei, Sato, Akemi, Araki, Mitsugu, Matsumoto, Shigeyuki, Isaka, Yuta, Sagae, Yukari, Abe, Tomonori, Aoyagi, Yasuko, Sueoka, Eisaburo, Okuno, Yasushi, Kimura, Shinya, Sueoka-Aragane, Naoko
Publicado 2022

Fibronectin type III domain-containing protein 5 interacts with APP and decreases amyloid β production in Alzheimer’s disease

por Noda, Yasuha, Kuzuya, Akira, Tanigawa, Kyousuke, Araki, Mitsugu, Kawai, Ryoko, Ma, Biao, Sasakura, Yoko, Maesako, Masato, Tashiro, Yoshitaka, Miyamoto, Masakazu, Uemura, Kengo, Okuno, Yasushi, Kinoshita, Ayae
Publicado 2018

Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance

por Okada, Koutaroh, Araki, Mitsugu, Sakashita, Takuya, Ma, Biao, Kanada, Ryo, Yanagitani, Noriko, Horiike, Atsushi, Koike, Sumie, Oh-hara, Tomoko, Watanabe, Kana, Tamai, Keiichi, Maemondo, Makoto, Nishio, Makoto, Ishikawa, Takeshi, Okuno, Yasushi, Fujita, Naoya, Katayama, Ryohei
Publicado 2019

Novel Calcium-Binding Ablating Mutations Induce Constitutive RET Activity and Drive Tumorigenesis

por Tabata, Junya, Nakaoku, Takashi, Araki, Mitsugu, Yoshino, Ryunosuke, Kohsaka, Shinji, Otsuka, Ayaka, Ikegami, Masachika, Ui, Ayako, Kanno, Shin-ichiro, Miyoshi, Keiko, Matsumoto, Shigeyuki, Sagae, Yukari, Yasui, Akira, Sekijima, Masakazu, Mano, Hiroyuki, Okuno, Yasushi, Okamoto, Aikou, Kohno, Takashi
Publicado 2022

A secondary RET mutation in the activation loop conferring resistance to vandetanib

por Nakaoku, Takashi, Kohno, Takashi, Araki, Mitsugu, Niho, Seiji, Chauhan, Rakhee, Knowles, Phillip P., Tsuchihara, Katsuya, Matsumoto, Shingo, Shimada, Yoko, Mimaki, Sachiyo, Ishii, Genichiro, Ichikawa, Hitoshi, Nagatoishi, Satoru, Tsumoto, Kouhei, Okuno, Yasushi, Yoh, Kiyotaka, McDonald, Neil Q., Goto, Koichi
Publicado 2018

Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity

por Yoshizawa, Takahiro, Uchibori, Ken, Araki, Mitsugu, Matsumoto, Shigeyuki, Ma, Biao, Kanada, Ryo, Seto, Yosuke, Oh-hara, Tomoko, Koike, Sumie, Ariyasu, Ryo, Kitazono, Satoru, Ninomiya, Hironori, Takeuchi, Kengo, Yanagitani, Noriko, Takagi, Satoshi, Kishi, Kazuma, Fujita, Naoya, Okuno, Yasushi, Nishio, Makoto, Katayama, Ryohei
Publicado 2021

Gilteritinib overcomes lorlatinib resistance in ALK-rearranged cancer

por Mizuta, Hayato, Okada, Koutaroh, Araki, Mitsugu, Adachi, Jun, Takemoto, Ai, Kutkowska, Justyna, Maruyama, Kohei, Yanagitani, Noriko, Oh-hara, Tomoko, Watanabe, Kana, Tamai, Keiichi, Friboulet, Luc, Katayama, Kazuhiro, Ma, Biao, Sasakura, Yoko, Sagae, Yukari, Kukimoto-Niino, Mutsuko, Shirouzu, Mikako, Takagi, Satoshi, Simizu, Siro, Nishio, Makoto, Okuno, Yasushi, Fujita, Naoya, Katayama, Ryohei
Publicado 2021

Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare EGFR mutations

por Ikemura, Shinnosuke, Yasuda, Hiroyuki, Matsumoto, Shingo, Kamada, Mayumi, Hamamoto, Junko, Masuzawa, Keita, Kobayashi, Keigo, Manabe, Tadashi, Arai, Daisuke, Nakachi, Ichiro, Kawada, Ichiro, Ishioka, Kota, Nakamura, Morio, Namkoong, Ho, Naoki, Katsuhiko, Ono, Fumie, Araki, Mitsugu, Kanada, Ryo, Ma, Biao, Hayashi, Yuichiro, Mimaki, Sachiyo, Yoh, Kiyotaka, Kobayashi, Susumu S., Kohno, Takashi, Okuno, Yasushi, Goto, Koichi, Tsuchihara, Katsuya, Soejima, Kenzo
Publicado 2019