Exploring Large Domain Motions in Proteins Using Atomistic Molecular Dynamics with Enhanced Conformational Sampling

por Dokainish, Hisham M., Sugita, Yuji
Publicado 2020

Structural effects of spike protein D614G mutation in SARS-CoV-2

por Dokainish, Hisham M., Sugita, Yuji
Publicado 2023

Multi-Scale Computational Enzymology: Enhancing Our Understanding of Enzymatic Catalysis

por Gherib, Rami, Dokainish, Hisham M., Gauld, James W.
Publicado 2013

Modified Protein-Water Interactions in CHARMM36m for Thermodynamics and Kinetics of Proteins in Dilute and Crowded Solutions

por Matsubara, Daiki, Kasahara, Kento, Dokainish, Hisham M., Oshima, Hiraku, Sugita, Yuji
Publicado 2022

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