Practical Protocols for Efficient Sampling of Kinase-Inhibitor Binding Pathways Using Two-Dimensional Replica-Exchange Molecular Dynamics

por Shinobu, Ai, Re, Suyong, Sugita, Yuji
Publicado 2022

Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape

por Re, Suyong, Oshima, Hiraku, Kasahara, Kento, Kamiya, Motoshi, Sugita, Yuji
Publicado 2019

Mutations of N1 Riboswitch Affect its Dynamics and Recognition by Neomycin Through Conformational Selection

por Chyży, Piotr, Kulik, Marta, Re, Suyong, Sugita, Yuji, Trylska, Joanna
Publicado 2021

Crystal structure of α5β1 integrin ectodomain: Atomic details of the fibronectin receptor

por Nagae, Masamichi, Re, Suyong, Mihara, Emiko, Nogi, Terukazu, Sugita, Yuji, Takagi, Junichi
Publicado 2012

Elucidation of interactions regulating conformational stability and dynamics of SARS-CoV-2 S-protein

por Mori, Takaharu, Jung, Jaewoon, Kobayashi, Chigusa, Dokainish, Hisham M., Re, Suyong, Sugita, Yuji
Publicado 2021

Unraveling SARS-CoV-2 spike protein activation pathway reveals unprecedented cryptic pockets

por Dokainish, Hisham M., Re, Suyong, Mori, Takaharu, Kobayashi, Chigusa, Jung, Jaewoon, Sugita, Yuji
Publicado 2022

The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein

por Dokainish, Hisham M, Re, Suyong, Mori, Takaharu, Kobayashi, Chigusa, Jung, Jaewoon, Sugita, Yuji
Publicado 2022

Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-Phase

por Re, Suyong, Watabe, Shigehisa, Nishima, Wataru, Muneyuki, Eiro, Yamaguchi, Yoshiki, MacKerell, Alexander D., Sugita, Yuji
Publicado 2018

Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide

por Yamane, Daiki, Onitsuka, Satsuki, Re, Suyong, Isogai, Hikaru, Hamada, Rui, Hiramoto, Tadanari, Kawanishi, Eiji, Mizuguchi, Kenji, Shindo, Naoya, Ojida, Akio
Publicado 2022

Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons

por Fujiyama, Keisuke, Kato, Naoki, Re, Suyong, Kinugasa, Kiyomi, Watanabe, Kohei, Takita, Ryo, Nogawa, Toshihiko, Hino, Tomoya, Osada, Hiroyuki, Sugita, Yuji, Takahashi, Shunji, Nagano, Shingo
Publicado 2021

Reduced efficacy of a Src kinase inhibitor in crowded protein solution

por Kasahara, Kento, Re, Suyong, Nawrocki, Grzegorz, Oshima, Hiraku, Mishima-Tsumagari, Chiemi, Miyata-Yabuki, Yukako, Kukimoto-Niino, Mutsuko, Yu, Isseki, Shirouzu, Mikako, Feig, Michael, Sugita, Yuji
Publicado 2021