Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations

por Gert-Jan Bekker, Ikuo Fukuda, Junichi Higo, Yoshifumi Fukunishi, Narutoshi Kamiya
Publicado 2021

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

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

Difference of binding modes among three ligands to a receptor mSin3B corresponding to their inhibitory activities

por Tomonori Hayami, Narutoshi Kamiya, Kota Kasahara, Takeshi Kawabata, Jun-ichi Kurita, Yoshifumi Fukunishi, Yoshifumi Nishimura, Haruki Nakamura, Junichi Higo
Publicado 2021