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

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

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

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

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

Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti

por Inaba, Kazue, Ebihara, Kana, Senda, Miki, Yoshino, Ryunosuke, Sakuma, Chisako, Koiwai, Kotaro, Takaya, Daisuke, Watanabe, Chiduru, Watanabe, Akira, Kawashima, Yusuke, Fukuzawa, Kaori, Imamura, Riyo, Kojima, Hirotatsu, Okabe, Takayoshi, Uemura, Nozomi, Kasai, Shinji, Kanuka, Hirotaka, Nishimura, Takashi, Watanabe, Kodai, Inoue, Hideshi, Fujikawa, Yuuta, Honma, Teruki, Hirokawa, Takatsugu, Senda, Toshiya, Niwa, Ryusuke
Publicado 2022